the goodman group
university of cambridge  


   publications

Up to date list of publications has moved to:

http://www-jmg.ch.cam.ac.uk/publications/

Hirsch number (h-index): 21

Articles

(114)
Solubility Challenge: Can You Predict Solubilities of Thirty-Two Molecules Using a Database of One Hundred Reliable Measurements?
A. Llinas, R. C. Glen, J. M. Goodman J. Chem. Inf. Model. 2008, 48, in press
DOI: 10.1021/ci800058v
PDF flier; Challenge begins July 15th

(113)
Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids
L. Simón and J. M. Goodman J. Am. Chem. Soc. 2008, 130, 8741-8747.
DOI: 10.1021/ja800793t

(112)
Theoretical Study of the Asymmetric Conjugate Alkenylation of Enones Catalyzed by Binaphthols
R. S. Paton, J. M. Goodman and S. C. Pellegrinet J. Org. Chem. 2008, 73, 5078-5089.
DOI: 10.1021/jo8007463

(111)
Stereostructure Assignment of Flexible Five-Membered Rings by GIAO 13C NMR Calculations: Prediction of the Stereochemistry of Elatenyne
S. G. Smith, R. S. Paton, J. W. Burton, and J. M. Goodman J. Org. Chem. 2008, 73, 4053-4062.
DOI: 10.1021/jo8003138

(110)
Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle
D. S. Palmer, A. Llinas, I. Morao, G. M. Day, J. M. Goodman, R. C. Glen, and J. B. O. Mitchell Molecular Pharmaceutics 2008, 5, 266 - 279.
DOI: 10.1021/mp7000878
Most-Accessed Article: January-March 2008

(109)
1,5-Anti Stereocontrol in the Boron-Mediated Aldol Reactions of β-Alkoxy Methyl Ketones: The Role of the Formyl Hydrogen Bond
R. S. Paton and J. M. Goodman J. Org. Chem. 2008, 73, 1253-1263.
DOI: 10.1021/jo701849x

(108)
Polymorph control: past, present and future
A. Llinas and J. M. Goodman Drug Discovery Today 2008, 13, 198-210.
DOI: 10.1016/j.drudis.2007.11.006

(107)
Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution
A. Llinas, J. C. Burley, T. J. Prior, R. C. Glen and J. M. Goodman Cryst. Growth Des. 2008, 8, 114-118.
DOI: 10.1021/cg700908m

(106)
The Mechanism of TBD-Catalyzed Ring-Opening Polymerization of Cyclic Esters
L. Simon and J. M. Goodman J. Org. Chem. 2007, 72, 9656-9662.
DOI: 10.1021/jo702088c

(105)
Exploration of the Accessible Chemical Space of Acyclic Alkanes
R. S. Paton and J. M. Goodman J. Chem. Inf. Model. 2007, 47, 2124-2132.
DOI: 10.1021/ci700246b
Isomer counting applet

(104)
Solvent effects and hydration of a tripeptide in sodium halide aqueous solutions: an in silico study
M. V. Fedorov, J. M. Goodman and S. Schumm Phys. Chem. Chem. Phys. 2007, 9, 5423-5435.
DOI: 10.1039/b706564g

Hot Paper: Comments

(103)
Computational assessment of synthetic procedures
J. M. Goodman and I. M. Socorro J. Comp.-Aided Molecular Design 2007, 21, 351-357.
DOI: 10.1007/s10822-007-9120-4

(102)
Enantioselectivity in the boron aldol reactions of methyl ketones
R. S. Paton and J. M. Goodman Chem. Commun. 2007, 2124-2126.
DOI: 10.1039/b704786j

(101)
A new method for the reproducible generation of polymorphs: two forms of sulindac with very different solubilities
A. Llinàs, K. J. Box, J. C. Burley, R. C. Glen, and J. M. Goodman J. Appl. Cryst. 2007, 40, 379-381.
DOI: 10.1107/S0021889807007832

(100)
Diclofenac Solubility: Independent Determination of the Intrinsic Solubility of Three Crystal Forms
A. Llinàs, J. C. Burley, K. J. Box, R. C. Glen, and J. M. Goodman J. Med. Chem. 2007, 50, 979-983.
DOI: 10.1021/jm0612970

(99)
Structural, Solid-State NMR and Theoretical Studies of the Inverse Coordination of Lithium Chloride Using Group 13 Phosphide hosts
M. J. Duer, F. Garcia, J. M. Goodman, J. P. Hehn, R. A. Kowenicki, V. Naseri, M. McPartlin, M. L. Stead, R. Stein, and D. S. Wright Chem. Eur. J. 2007, 13, 1251-1260.
DOI: 10.1002/chem.200600781

(98)
The effect of haem in red and processed meat on the endogenous formation of N-nitroso compounds in the upper gastrointestinal tract
J. C. Lunn, G. Kuhnle, V. Mai, C. Frankenfeld, D. E. G. Shuker, R. C. Glen, J. M. Goodman, J. R. A. Pollock, and S. A. Bingham Carcinogenesis 2007, 28, 685-690.
DOI: 10.1093/carcin/bgl192

(97)
Amodiaquinium dichloride dihydrate from laboratory powder diffraction data
A. Llinas, L. Fabian, J. C. Burley, J. van de Streek and J. M. Goodman Acta Cryst. E 2006, 62, o4196-o4199.
DOI: 10.1107/S1600536806033691

(96)
Understanding the Origins of Remote Asymmetric Induction in the Boron Aldol Reactions of β-Alkoxy Methyl Ketones
R. S. Paton and J. M. Goodman Org. Lett. 2006, 8, 4299-4302.
DOI: 10.1021/ol061671q

(95)
Solvent Effects and Conformational Stability of a Tripeptide
M. V. Fedorov, S. Schumm and J. M. Goodman CompLife 2006, Lecture Notes in Bioinformatics 4216 2006, 141-149.
DOI: 10.1007/11875741_14

(94)
Asymmetric Conjugate Addition of Alkynylboronates to Enones: Rationale for the Intriguing Catalysis Exerted by Binaphthols
S. C. Pellegrinet and J. M. Goodman J. Am. Chem. Soc. 2006, 128, 3116-3117.
DOI: 10.1021/ja056727a

(93)
The ROBIA Program for Predicting Organic Reactivity
I. M. Socorro and J. M. Goodman J. Chem. Inf. Model. 2006, 46, 606-614.
DOI: 10.1021/ci050379e

(92)
Computer-assisted design of asymmetric 1,3-dipolar cycloadditions between dimethylvinylborane and chiral nitrones
J. Diaz, M. A. Silva, J. M. Goodman and S. C. Pellegrinet Tetrahedron 2005, 61, 10886-10893.
DOI: 10.1016/j.tet.2005.09.004

(91)
ROBIA: A Reaction Prediction Program
I. M. Socorro, K. Taylor and J. M. Goodman Org. Lett. 2005, 7, 3541-3544.
DOI: 10.1021/ol0512738

(90)
Intramolecular General Acid Catalysis of Phosphate Transfer. Nucleophilic Attack by Oxyanions on the PO32- Group
A. J. Kirby, N. Dutta-Roy, D. da Silva, J. M. Goodman, M. F. Lima, C. D. Roussev and F. Nome J. Am. Chem. Soc. 2005, 127, 7033-7040.
DOI: 10.1021/ja0502876

(89)
Selection of the cis and trans phosph(III)azane macrocycles [{P(μ-NtBu)}2(1-Y-2-NH-C6H4)]2(Y = O, S)
F. Garcia, J. M. Goodman, R. A. Kowenicki, M. McPartlin, L. Riera, M. A. Silva, A. Wirsing and D. S. Wright Dalton Transactions 2005, 10, 1764-1773.
DOI: 10.1039/b502200b

(88)
Molecule Impossible
J. M. Goodman Chemistry & Industry 2005, #6, March 21, 18-19.

(87)
Computational evaluation of asymmetric Diels-Alder reactions of vinylboranes with chiral dienes
S. C. Pellegrinet, M. A. Silva and J. M. Goodman Tetrahedron Letters 2005, 46, 2461-2464.
DOI: 10.1016/j.tetlet.2005.02.050

(86)
Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states
M. A. Silva and J. M. Goodman Tetrahedron Letters 2005, 46, 2067-2069.
DOI: 10.1016/j.tetlet.2005.01.142

(85)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
K. M. N. de Silva and J. M. Goodman J. Chem. Inf. Model. 2005, 45, 81-87.
DOI: 10.1021/ci0497657

(highlighted in Most-Accessed Articles January-June, 2005)

(84)
Selection of a Pentameric host in the host-Guest Complexes {[{[P(μ-NtBu)]2(μ-NH)}5].I}-[Li(thf)4]+ and [{[P(μ-NtBu)]2(μ-NH)}5].HBr.THF
F. Garcia, J. M. Goodman, R. A. Kowenicki, I. Kuzu, M. McPartlin, M. A. Silva, L. Riera, A. D. Woods and D. S. Wright Chemistry - A European Journal, 2004, 10, 6066-6072.
DOI: 10.1002/chem.200400320

(83)
Experimental data checker: better information for organic chemists
S. E. Adams, J. M. Goodman, R. J. Kidd, A. D. McNaught, P. Murray-Rust, F. R. Norton, J. A. Townsend and C. A. Waudby Org. Biomol. Chem. 2004, 2, 3067-3070.
DOI: 10.1039/B411699M

(Applet)
highlighted in
(82)
Chemical documents: machine understanding and automated information extraction
J. A. Townsend, S. E. Adams, C. A. Waudby, V. K. de Souza, J. M. Goodman and P. Murray-Rust Org. Biomol. Chem. 2004, 2, 3294-3300.
DOI: 10.1039/b411033a

(81)
Chemistry on the world-wide-web: a ten year experiment
J. M. Goodman Org. Biomol. Chem. 2004, 2, 3222-3225.
DOI: 10.1039/b409956g

(80)
Theoretical Study on the Selectivity of Asymmetric Sulfur Ylide Epoxidation Reaction
M. A. Silva, B. R. Bellenie and J. M. Goodman Org. Lett. 2004, 6, 2559-2562.
DOI: 10.1021/ol0491641

(79)
A promising enantioselective Diels-Alder dienophile by computer-assisted rational design: 2,5-diphenyl-1-vinyl-borolane
S. C. Pellegrinet, M. A. Silva, and J. M. Goodman J. Comp.-Aided Mol. Design 2004, 18, 209-214.
DOI: 10.1023/b:JCAM.0000035200.30340.41

(78)
Sulfonium ylide epoxidation reactions: methylene transfer
B. R. Bellenie and J. M. Goodman Chem. Comm. 2004, 1076-1077.
DOI: 10.1039/b316653h

(77)
Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors
H. T. Horsley, A. B. Holmes, J. E. Davies, J. M. Goodman, M. A. Silva, S. I. Pascu and I. Collins Org. Biomol. Chem. 2004, 2, 1258-1265.
DOI: 10.1039/b402307b

(76)
Diels-Alder Reactions of Vinylboranes: A Computational Study on the Boron Substituent Effects
M. A. Silva, S. C. Pellegrinet and J. M. Goodman ARKIVOC 2003, X, 556-565.
(PDF)

(75)
Stereochemical elucidation of the 1,4 polyketide amphidinoketide i
L. M. Walsh and J. M. Goodman Chem. Comm. 2003, 2616-2617.
DOI: 10.1039/b309104j

(74)
Rotavap Simulation and the Estimation of Boiling Points
C. R. Stewart and J. M. Goodman Chem. Comm. 2003, 2654-2655.
DOI: 10.1039/b309488j

(Rotavap simulation applet)
highlighted in: Reactive Reports December 2003, Issue 35.
(73)
QRC: A rapid method for connecting transition structures to reactants in the computational analysis of organic reactivity
M. A. Silva and J. M. Goodman Tetrahedron Letters 2003, 44, 8233-8236.
DOI: 10.1016/j.tetlet.2003.09.074

(Program and documentation)
(72)
A tricycloheptane product in cationic rearrangements
J. E. Davies, I. Fleming and J. M. Goodman Organic and Biomolecular Chemistry 2003, 1, 3570-3571.
DOI: 10.1039/b309329h

(71)
How Accurate Is the Steady State Approximation?
L. O. Haustedt and J. M. Goodman J. Chem. Educ. 2003, 80, 839.
(Applet)

(70)
Controlling neighbouring group participation from thioacetals
M. Gibson, J. M. Goodman, L. J. Farrugia, and R. C. Hartley Tetrahedron Letters 2003, 44, 2841-2844.
DOI: 10.1016/S0040-4039(03)00440-4

(69)
A DFT study on the Regioselectivity of the Reaction of Dichloropropynylborane with Isoprene.
M. A. Silva, S. C. Pellegrinet and J. M. Goodman J. Org. Chem. 2003, 68, 4059-4066.
DOI: 10.1021/jo026821z

(68)
A Theoretical Study of the Reaction of Alkynylboranes with Butadiene: Competition between Cycloaddition and Alkynylboration
M. A. Silva, S. C. Pellegrinet and J. M. Goodman J. Org. Chem. 2002, 67, 8203-8209.
DOI: 10.1021/jo026324i

(67)
Sulfide-BF3.OEt2 mediated Baylis-Hillman reactions
L. M. Walsh, C. L.Winn and J. M. Goodman Tetrahedron Letters 2002, 43, 8219-8222.
DOI: 10.1016/S0040-4039(02)02053-1

(66)
How well are we using XML in Chemistry?
J. M. Goodman Chemistry International 2002, 24, 7.
(paper)

(65)
A highly enantioselective one-pot sulfur ylide epoxidation reaction
C. L. Winn, B. R. Bellenie and J. M. Goodman Tetrahedron Letters 2002, 43, 5427-5430.
DOI: 10.1016/S0040-4039(02)01072-9

(64)
Nitrone cyclisations: the development of a semi-quantitative model from ab initio calculations
M. A. Silva and J. M. Goodman Tetrahedron 2002, 58, 3667-3671.
DOI: 10.1016/S0040-4020(02)00349-6

(63)
Site-Specific examination of secondary structure and orientation determination in membrane proteins: the peptidic 13C=18O group as a novel infrared probe
J. Torres, A. Kukol, J. M. Goodman and I. T. Arkin Biopolymers 2001, 59, 396-401.
DOI: 10.1002/1097-0282(200111)59:6<396::AID-BIP1044>3.0.CO;2-Y

(62)
The stereochemistry of glabrescol
B. R. Bellenie and J. M. Goodman Tetrahedron Letters 2001, 42, 7477-7479.
DOI: 10.1016/S0040-4039(01)01551-9

(61)
Studies on the formation of a tricyclic C2-symmetric sulfide
C. L. Winn and J. M. Goodman Tetrahedron Letters 2001, 42, 7091-7093.
DOI: 10.1016/S0040-4039(01)01455-1

(60)
Gas phase versus solution chemistry: on the reversal of regiochemistry of methylation of sp2- and sp3-nitrogens
J. S. Brodbelt, J. Isbell, J. M. Goodman, H. V. Secor and J. I. Seeman Tetrahedron Letters 2001, 42, 6949-6952.
DOI: 10.1016/S0040-4039(01)01419-8

(59)
Theoretical Evaluation of the Origin of the Regio- and Stereoselectivity in the Diels-Alder Reactions of Dialkylvinylboranes: Studies on the Reactions of Vinylborane, Dimethylvinylborane, and Vinyl-9-BBN with trans-Piperylene and Isoprene
S.C. Pellegrinet, M. A. Silva, and J. M. Goodman J. Am. Chem. Soc. 2001, 123, 8832-8837.
DOI: 10.1021/ja015838g

(58)
10-helical conformations in oxetane β-amino acid hexamers
T. D. W. Claridge, J. M. Goodman, A. Moreno, D. Angus, S. F. Barker, C. Taillefumier, M. P. Watterson and G. W. J. Fleet Tetrahedron Letters 2001, 42, 4251-4255.
DOI: 10.1016/S0040-4039(01)00661-X

(57)
Stereocontrol in a one-pot procedure for anionic oxy-Cope rearrangement followed by intramolecular aldol reaction
A. P. Rutherford, C. S. Gibb, R. C. Hartley and J. M. Goodman. J. Chem. Soc., Perkin Trans. 1, 2001, 1051-1061.
DOI: 10.1039/b010138i

(56)
World champion chemists: people versus computers
J. M. Goodman. Visions of the Future: Chemistry and Life Science Ed. J. M. T. Thompson (Cambridge University Press 2001)

(55)
Novel inhibitors of leishmanial dihydrofolate reductase
S. F. Chowdhury, R. Di Lucrezia, R. H. Guerrero, R. Brun, J. M. Goodman, L. M. Ruiz-Perez, D. G. Pacanowska and I. H. Gilbert Bioorganic and Medicinal Chemistry Letters, 2001, 11, 977-980.
DOI: 10.1016/S0960-894X(01)00089-0

(54)
A Double Ring Closing Metathesis Reaction in the Rapid, Enantioselective Synthesis of NK-1 Receptor Antagonists
D. J. Wallace, J. M. Goodman, D. J. Kennedy, A. J. Davies, C. J. Cowden, M. S. Ashwood, I. F. Cottrell, U.-H. Dolling, and P. J. Reider Org. Lett. 2001, 3, 671-674.
DOI: 10.1021/ol006958g

(53)
Some calculations for organic chemists: boiling point variation, Boltzmann factors and the Eyring equation
J. M. Goodman, P. D. Kirby, and L. O. Haustedt Tetrahedron Letters 2000, 41, 9879-9882.
DOI: 10.1016/S0040-4039(00)01754-8

(Applets)

(52)
Solutions for Chemistry: Synthesis of Experiment and Calculation
J. M. Goodman Phil Trans Roy Soc. 2000, 358, 387-398.
DOI: 10.1098/rsta.2000.0537

(51)
On the need for multiple lists of chemical information
J M Goodman Molecules, 2000, 5, 33-36.
(PDF)
(On-line information)

(50)
Interactive Analysis of Selectivity in Kinetic Resolutions
J. M. Goodman, A.-K. Köhler and S. C. M. Alderton Tetrahedron Letters 1999, 40, 8715-8718.
DOI: 10.1016/S0040-4039(99)01850-X
(Kinetic Resolution Applet)

(49)
Design, Synthesis and Evaluation of Inhibitors of Trypanosomal and Leishmanial Dihydrofolate Reductase
S. F. Chowdhury, V. Bernier Villamor, R. Hurtado Guerrero, I. Leal, R. Brun, S. L. Croft, J. M. Goodman, L. Maes, L. M. Ruiz-Perez, D. Gonzalez Pacanowska, and I. H. Gilbert J. of Med. Chem. 1999, 42, 4300-4312.
DOI: DOi: 10.1021/jm981130+

(48)
Synthesis and post-assembly modification of some functionalised, neutral π-associated [2]catenanes
Q. Zhang, D. G. Hamilton, N. Feeder, S. J. Teat, J. M. Goodman, J. K. M. Sanders New Journal Chemistry 1999, 23, 897-903.
DOI: 10.1039/a904174e

(47)
Informed Chemistry: What can IT do for Synthesis?
J. M. Goodman ChemWeb Event 12. January 13th, 1999.

(46)
An Experimental and Theoretical Study of a Bicyclic Acetal Equilibrium
A. P. Dominey, J. M. Goodman Org. Lett. 1999, 1, 473-476.
DOI: 10.1021/ol990669e

(45)
How Do Approximations Affect the Solutions to Kinetic Equations?
J. M. Goodman J. Chem. Ed. 1999, 76, 275-277.
(On-line information)

(44)
Medium Ring Lactams as Peptide Conformational Constraints
S. Derrer, A. Nadin, R. P. McGeary, J. M. Goodman, A. B. Holmes, P. R. Raithby Peptides 1996 Ed. R. Ramage and R. Epton, The European Peptide Society, 1998, 337-338.

(43)
Stereoselective Synthesis of 1-hydroxymethyl-4-phenylsulfonylbutadienes
J. G. Urones, I. S. Marcos, N. M. Garrido, P. Basabe, A. J. Bastida, S. G. San Feliciano, D. Diez, J. M. Goodman. Synlett 1998, 1361-1363.
DOI: 10.1055/s-1998-1956

(42)
Calculation of Stereoselectivity in the Boron-Mediated Aldol Reaction of Methyl Ketones
J. M. Goodman, M. D. Mackey. ECTOC-3 J. Chem. Soc. Dalton. (CD-rom) 1998, #3
(On-line version)

(41)
Alkane Conformations
J. M. Goodman J. Chem. Soc. Dalton. (CD-rom) 1998, #3
(On-line information)

(40)
ECTOC-3: Electronic Conference on Trends in Organometallic Chemistry
Editors: H. S. Rzepa, J. M. Goodman, M. Winter J. Chem. Soc. Dalton. (CD-rom) 1998, #3

(39)
Genetic Algorithms in Conformational Analysis
N. Nair, J. M. Goodman J. Chem. Inf. Comput. Sci. 1998, 38, 317-320.
DOI: 10.1021/ci970433u
(Download program)

(38)
Aldol Reactions
J. M. Goodman McGraw Hill Encyclopedia of Chemistry ; Lagowski, J. J. Ed.; Volume 1; Macmillan Reference USA, Simon & Schuster Macmillan: New York, 1997; pp 46-49.

(37)
Conformational preferences of R 1R2C=O•H2BF complexes
M. D. Mackey, J. M. Goodman Chem. Comm. 1997, 2383-2384.
DOI: 10.1039/a706288e

(36)
Stoichiometric assembly of [Sb(PCy)3]2Li6•6HNMe2•2C6H5Me; a highly fluxional antimony(IIi) phosphinidine complex containing Me2NH ligation of lithium
M. A. Beswick, J. M. Goodman, C. N. Harmer, A. D. Hopkins, M. A. Paver, P. R. Raithby, A. E. H. Wheatley, D. S. Wright. Chem. Comm. 1997, 1879-1880.
DOI: 10.1039/a703979d
(Supporting information)

(35)
3D Molecular Structure Collection
J. M. Goodman Chem. Comm. (CD-rom) 1997, #6.
(On-line version)

(34)
What is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?
J. M. Goodman J. Chem. Inf. Comput. Sci. 1997, 37, 876-878.
DOI: 10.1021/ci9704219

(33)
Rapid conformation searching. Part 2. Similar compounds
J. M. Goodman, A. G. Leach J. Chem. Soc., Perkin Trans. 2 1997, 1205-1208.
DOI: 10.1039/a606712c
(Download program)

(32)
Rapid conformation searching. Part 1.Diastereomeric compounds
J. M. Goodman, A. Bueno Saz J. Chem. Soc., Perkin Trans. 2 1997, 1201-1204.
DOI: 10.1039/a606711e
(Download program)

(31)
Eadfrith: A Molecular Rendering Program for Silicon Graphics Workstations
J. M. Goodman J Mol. Graph. 1996, 14, 59.
(Program details)

(30)
Medium ring lactams in molecular recognition
A. Nadin, S. Derrer, R. P. McGeary, J. M. Goodman, A. B. Holmes, P. R. Raithby Materials Science and Engineering C 1996, 4, 59-62.

(29)
The Case for Content Integrity in Electronic Chemistry Journals: The CLIC Project
D. James, B. J. Whitaker, C. Hildyard, H. S. Rzepa, O. Casher, J. M. Goodman, D. Riddick, P. Murray-Rust. New Review of Information Networking 1996, 61-70. (ISSN 1361-4576)

(28)
Electronic Conference on Trends in Organic Chemistry (ECTOC-1),
Eds. H. S. Rzepa, C. Leach and J. M. Goodman (CD-rom), Royal Society of Chemistry, 1996

(27)
A Computational Model for Stereoselectivity in the Boron-Mediated Aldol Reactions of Methyl Ketones
A. Bernardi, C. Gennari, J. M. Goodman, I. Paterson. Electronic Conference on Trends in Organic Chemistry (ECTOC-1), Eds. H. S. Rzepa, C. Leach and J. M. Goodman (CD-ROM), Royal Society of Chemistry, 1996
(On-line version)

(26)
The Rational Design and Systematic Analysis of Asymmetric Aldol Reactions Using Enol Borinates: Applications of Transition State Computer Modelling
A. Bernardi, C. Gennari, J. M. Goodman, I. Paterson. Tetrahedron Asymmetry 1995, 6, 2613-2636.
DOI: 10.1016/0957-4166(95)00343-N
(Supporting Material)

(25)
Seven-membered Lactams as Constraints for Amide Self Recognition
A. Nadin, S. Derrer, R. P. McGeary, J. M. Goodman, P. R. Raithby, A. B. Holmes, P. J. OHanlon, N. D. Pearson, J. Am. Chem. Soc. 1995, 117, 9768-9769.
DOI: 10.1021/ja00143a025
(Supporting Material)

(24)
On the Configuration and Conformation of Oxyallyls in Medium and Large Rings
J. M. Goodman, H. M. R. Hoffmann, J. G. Vinter Tetrahedron Letters 1995, 36, 7757-7760.
DOI: 10.1016/0040-4039(95)01618-R

(23)
Mechanistic insights from Ab Initio calculations on a nitrogen analogue of the boron-mediated aldol reaction
A. Bernardi, C. Gennari, J. M. Goodman, V. Leue, I. Paterson. Tetrahedron 1995, 51, 4853-4866.
DOI: 10.1016/0040-4020(95)00170-D

(22)
Electrostatic complementarity in protein-substrate interactions and ligand design
J. M. Goodman, P. L. Chau. pp.373--380. Statistical Mechanics, Protein Structure and Protein-Substrate Interactions Ed. S. Doniach, Plenum Press, New York. 1994

(21)
A Configurational Model for Siphonariid Polypropionates Derived from Structural and Biosynthetic Considerations
M. J. Garson, J. M. Goodman, I. Paterson. Tetrahedron Letters 1994, 35, 6929-6932.
DOI: 10.1016/0040-4039(94)85044-5

(20)
Molecular mechanics: problems and potential
J. M. Goodman. Aspects of Structural Molecular Biology Ed. S. Neidle, W Fuller; Volume Ed. J. G. Vinter, M Gardner. (1994, Macmillan).

(19)
Computer Assisted Design of Chiral Boron Enolates: The Role of Ate Complexes in Determining Aldol Stereoselectivity
A. Bernardi, A. Comotti, C. Gennari, C. T. Hewkin, J. M. Goodman, A. Schlapbach, I. Paterson. Tetrahedron 1994, 50, 1227-1242.
DOI: 10.1016/S0040-4020(01)80834-6

(18)
MM2 force field parameters for compounds containing the diazoketone function
J. M. Goodman, J. J. James, A. Whiting. J. Chem. Soc., Perkin Trans. 2 1994, 109-116.
DOI: 10.1039/P29940000109

(17)
The development and application of a force field for the addition of allyl- and crotylboranes to aldehydes
A. Vulpetti, M. Gardner, A. Bernardi, C. Gennari, J. M. Goodman, and I. Paterson. J. Org. Chem. 1993, 58, 1711-1718.
DOI: 10.1021/jo00059a019

(16)
Origins of π-face selectivity in the aldol reactions of chiral (E)-enol borinates: A computational study using transition state modelling
A. Vulpetti, A. Bernardi, C. Gennari, J. M. Goodman, and I. Paterson. Tetrahedron 1993, 49, 685-696.
DOI: 10.1016/S0040-4020(01)86270-0

(15)
Kinetic enolisation of ketones by dialkyl boron chlorides and triflates: a model for the effect of substrate structure, leaving group and amine base
J. M. Goodman, I. Paterson. Tetrahedron Letters 1992, 33, 7223-7226.
DOI: 10.1016/S0040-4039(00)60878-X

(14)
Molecular orbital calculations on R 1R2C=O•H2BF complexes: anomeric stabilisation and conformational preferences
J. M. Goodman. Tetrahedron Letters 1992, 33, 7219-7222.
DOI: 10.1016/S0040-4039(00)60877-8

(13)
The rational design of highly stereoselective boron enolates using transition state computer modeling: A novel asymmetric anti-aldol reaction for ketones.
C. Gennari, C. T. Hewkin, F. Molinari, A. Bernardi, A. Comotti, J. M. Goodman, I. Paterson. J. Org. Chem. 1992, 57, 5173-5177.
DOI: 10.1021/jo00045a033

(12)
Ligand atom partial charge assignment for complementary electrostatic potentials
S. L. Chan, P. L. Chau, J. M. Goodman. J. Comp.-Aided Mol. Design 1992, 6, 461-474.

(11)
Diastereofacial selectivity in the aldol reactions of chiral α-methyl aldehydes: a computer modelling approach
C. Gennari, S. Vieth, A. Comotti, A. Vulpetti, J. M. Goodman, I. Paterson. Tetrahedron 1992, 48, 4439-4458.
DOI: 10.1016/S0040-4020(01)80452-X

(10)
Developing a force field for the transition states of the aldol reaction of enolborinates: evaluation of the use of fixed point charges
A. Bernardi, A. Cassinari, A. Comotti, M. Gardner, C. Gennari, J. M. Goodman, I. Paterson. Tetrahedron 1992, 48, 4183-4192.
DOI: 10.1016/S0040-4020(01)92196-9

(9)
An unbounded systematic search of conformational space
J. M. Goodman, W. C. Still J. Comp. Chem. 1991, 12, 1110-1117.
DOI: 10.1002/jcc.540120908

(8)
Origins of stereoselectivity in chiral boron enolate reactions: a computational study using transition state modelling.
A. Bernardi, A. M. Capelli, A. Comotti, C. Gennari, M. Gardner, J. M. Goodman, I. Paterson. Tetrahedron 1991, 47, 3471-3484.
DOI: 10.1016/S0040-4020(01)86409-7

(7)
Enantio- and diastereoselective aldol reactions of achiral ethyl and methyl ketones with aldehydes: the use of enol diisopinocampheylborinates.
I. Paterson, J. M. Goodman, M. A. Lister, R. C. Schumann, C. K. McClure, R. D. Norcross. Tetrahedron 1990, 46, 4663-4684.
10.1016/S0040-4020(01)85588-5

(6)
Transition-state modeling of the aldol reaction of boron enolates: a force field approach.
A. Bernardi, A. M. Capelli, C. Gennari, J. M. Goodman, I. Paterson. J. Org. Chem. 1990, 55, 3576-3581.
DOI: 10.1021/jo00298a038

(5)
Theoretical studies of aldol stereoselectivity: the development of a force field model for enol borinates and the investigation of chiral enolate π-face selectivity.
J. M. Goodman, S. D. Kahn, I. Paterson. J. Org. Chem. 1990, 55, 3295-3303.
DOI: 10.1021/jo00297a058

(4)
Theoretical Studies of Aldol Stereoselectivity: The Development of a Force Field Model for Enol Borinates and the Investigation of π-face Selectivity
J. M. Goodman, I. Paterson, and S. D. Kahn. Supercomputer Assisted Research , University of London Computer Centre, August 1989, 18.

(3)
Aldol reactions in polypropionate synthesis: high π-face selectivity of enol borinates from α-chiral methyl and ethyl ketones under substrate control.
I. Paterson, J. M. Goodman, M. Isaka. Tetrahedron Letters 1989, 30, 7121-7124.
DOI: 10.1016/S0040-4039(01)93440-9

(2)
Aldol reactions of methylketones using chiral boron reagents: a reversal in aldehyde enantioface selectivity.
I. Paterson, J. M. Goodman. Tetrahedron Letters 1989, 30, 997-1000.
DOI: 10.1016/S0040-4039(00)95300-0

(1)
A force field model for boron enolates.
J. M. Goodman, I. Paterson, S. D. Kahn. Tetrahedron Letters 1987, 28, 5209-5212.
DOI: 10.1016/S0040-4039(00)95631-4

Book:

Chemical Applications of Molecular Modelling
J. M. Goodman
Royal Society of Chemistry, 1998
ISBN: 0-85404-579-1
  • Reviews:
    • Flower, D. Chemistry in Britain March 1999, 64.
    • Adamczeski, M. J. Am. Chem. Soc. 2000, 122, 3982-3983.

Book and Computer Software Reviews

(8)
Desktop Molecular Modeller
Physical Sciences Educational Reviews 2003, Volume 4, Issue 2, 33-34.

(7)
Drug design: cutting edge approaches
Chemistry & Industry 18th August 2003, Issue 16, 23-24.

(6)
Curly Arrows: Writing Organic Reaction Mechanisms
Physical Sciences Educational Reviews 2002, Volume 3, Issue 1. LTSN Physical Sciences

(5)
The Amide Linkage: Selected structural aspects in chemistry, biochemistry and materials science A. Greenberg C. M. Breneman and J. F. Liebman. John Wiley and Sons, Inc. New York, Chichester, Weinheim, Brisbane, Singapore and Toronto, 2000.
J. Mol. Graph. and Modelling

(4)
WebLab ViewerPro
CTi Chemistry May 1998, Volume 17, p34-35
and also: The Alchemist, 24th April 1998, ChemWeb.com

(3)
WebLab Viewer
CTi Chemistry 1997

(2)
Desktop Molecular Modeller
Chemistry & Industry 1994, 27, #1

(1)
HyperChem
Chemistry & Industry 1992, 572-573, #15

Computer Software:

(10)
Experimental Data Checker
S. E. Adams, J. M. Goodman, R. J. Kidd, A. D. McNaught, P. Murray-Rust, F. R. Norton, J. A. Townsend and C.A. Waudby
  • Highlighted in Chemical Science 2004, 1, C33.

(9)
Magnus: chemical calculations

(8)
DNA demonstration for the Laboratoire virtuel de science, Université Laurentienne http://franco.laurentian.ca/lab/

(7)
Acca: a program to assist with conformation searching

(6)
Various utilities for molecular modelling

(5)
Computer Security: computers monitored in the department of chemistry since 1995

(4)
Eadfrith a program to display molecules and their electrostatic and vibrational properties for lectures and posters

(3)
Cyril a chemical-literature database program

(2)
Systematic search subroutines for: Batchmin version 3.0 (Clark Still, Columbia University)

(1)
Conformational search user interface for: MacroModel version 3.X (Clark Still, Columbia University)

Conferences with published abstracts

(32)
ROBIA: Computational analysis of synthetic processes
J. M. Goodman and I. M. Socorro ORGN 626. 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006.

(31)
Understanding stereoselectivity in the boron aldol reaction of methyl ketones
R. S. Paton and J. M. Goodman ORGN 849. 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006.

(30)
ROBIA: Computational assessment of synthetic procedures
J. M. Goodman and I. M. Socorro CINF 39. 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006.

(29)
Applications of a highly enantioselective sulfur-ylide in epoxidation reactions
C. P. Tubb and J. M. Goodman ORGN 351. 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006.

(28)
Computational studies on the analysis of organic reactivity
I. M. Socorro, J. M. Goodman and K. T. Taylor CINF 91. 227th ACS National Meeting, Anaheim, March 28 - April 1, 2004.

(27)
Molecular modelling for organic chemists: A chemical informatics problem
J. M. Goodman and M. A. Silva. CINF 49. 227th ACS National Meeting, Anaheim, March 28 - April 1, 2004.

(26)
Highly enantioselective sulfur ylide epoxidation reactions
J. M. Goodman and B. R. Bellenie ORGN 446 225th ACS National Meeting, New Orleans. March 23-27, 2003.

(25)
Studies towards the total synthesis of dolabriferol
J. M. Goodman, E. F. Makiyi and A. D. G. Donald ORGN 416 225th ACS National Meeting, New Orleans. March 23-27, 2003.

(24)
Effective chemical information
J. M. Goodman CINF 106 224th ACS National Meeting, Boston. August 18-22, 2002.

(23)
Sulfide/BF3.OEt2 mediated Baylis-hillman reactions: what is the role of sulfur?
L. M. Walsh and J. M. Goodman ORGN 79 223rd ACS National Meeting, Orlando. April 7-11, 2002.

(22)
Evaluating chemical information sources on the World Wide Web
J. M. Goodman Proceedings of the 2001 International Chemical Information Conference, Nimes, France, October 21-24, 2001.

(21)
Computational studies on the Diels-Alder reactions of vinyl- and alkynylboranes.
J.M. Goodman, S. C. Pellegrinet, M. A. Silva ORGN 114, 222nd ACS National Meeting, Chicago. August 26-30, 2001.

(20)
Chemistry 2000: Resolving finer detail.
J.M. Goodman CINF 39, 222nd ACS National Meeting, Chicago. August 26-30, 2001.

(19)
Nonenzymatic kinetic resolution of alcohols: Enantioselective oxidation using chiral sulfoxides.
J.M. Goodman, A. D. G. Donald ORGN 345, 222nd ACS National Meeting, Chicago. August 26-30, 2001.

(18)
Computers in the Cambridge University organic chemistry courses
J.M. Goodman . CHED 332, 220th ACS National Meeting, Washington DC. August 20-24, 2000

(17)
Computational analysis of the competitive formation of acetals: An application to the synthesis of zaragozic acid
J.M. Goodman, S.C. Pellegrinet . ORGN 382, 220th ACS National Meeting, Washington DC. August 20-24, 2000

(16)
ATTILA: An efficient method for the conformation searching of cyclic molecules
C-T. Teo, J.M. Goodman . COMP 89, 220th ACS National Meeting, Washington DC. August 20-24, 2000

(15)
Chemistry 2000: The first 2000 days
J.M. Goodman. CINF 39, 220th ACS National Meeting, Washington DC. August 20-24, 2000

(14)
Novel approach for modeling metals in enzyme active sites: Force field model for calcium in the active site of phospholipase A2 and application to the design of new inhibitors.
J.M. Goodman, S. P. Roday . MEDi 141, 220th ACS National Meeting, Washington DC. August 20-24, 2000

(13)
Synthesis of sulfur compounds and their use in asymmetric synthesis
J.M. Goodman, C.L. Winn . ORGN 382, 219th ACS National Meeting, San Francisco, CA. March 26-30, 2000

(12)
Genetic algorithms and simplified models of protein conformations
J. M. Goodman, and A. Soni. Modelling biomolecular mechanism: from states to processes at an atomic level. Molecular Graphics and Modelling Society 18th International Meeting. York, UK, April 5th - 8th, 2000. Published in: J. Mol. Graph. and Modelling 2000, 18, 202-203.

(11)
On the need for multiple lists of chemical information
J M Goodman. ECSOC-3 September 1-30, 1999. http://www.mdpi.org/ecsoc-3.htm

(10)
Stereoselective reduction and oxidation by calculation and experiment
J M Goodman, M D Mackey and P C Wolstenholme-hogg. ORGN 314. 218th ACS National Meeting, New Orleans, LA. August 22-26, 1999

(9)
Stereochemistry of nonactin: a computational analysis
J M Goodman, R Hoyer, A Burzlaf, and R Omar. COMP 213. 218th ACS National Meeting, New Orleans, LA. August 22-26, 1999

(8)
Molecules for the People
J M Goodman. CHED187. 218th ACS National Meeting, New Orleans, LA. August 22-26, 1999

(7)
Competitive Formation of Bicyclic Acetals
J M Goodman and A P Dominey. 5th World Congress of Theoretically Oriented Chemists (WATOC '99). 1st - 6th August 1999, Imperial College, London

(6)
Studies on the competitive formation of bicyclic acetals.
A P Dominey and J M Goodman. 216th ACS National Meeting, Boston MA. August 23-27, 1998

(5)
Electronic journals: The CLIC project
H S Rzepa, B Whitaker, J Goodman, O Casher, D Riddick, J Griffiths, D James and C Hildyard. COMP 45. 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997

(4)
Calculation of Stereoselectivity in the Boron-Mediated Aldol Reaction of Methyl Ketones
M D Mackey and J M Goodman. ECTOC-3

(3)
Insights into the mechanism of the asymmetric reduction of ketones with diisopinocampheyl boron chloride
M. D. Mackey, J. M. Goodman. Electronic Computational Chemistry Conference, Northern Illinois University, 1994

(2)
Modelling transition states with force fields: development of the best possible parameters
J. M. Goodman. 202nd National ACS Meeting, New York, August 1991.

(1)
Theoretical studies of aldol stereoselectivity: the development of a force field model for enol borinates and the investigation of chiral enolate pi-face selectivity.
J. M. Goodman, S. D. Kahn, I. Paterson. 196th National ACS Meeting, Los Angeles, September 1988.

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