Department of Chemistry

Biological Publications (recent)


Efficient Characterization of Protein Cavities within Molecular Simulation Trajectories:trj_cavity
Teresa Paramo, Alexandra East, Diana Garzón, Martin B Ulmschneider, and Peter J Bond
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/ct401098b


Continuous Flow Chemistry: A Discovery Tool for New Chemical Reactivity Patterns
Steven V Ley, Jan Benedikt Metternich, Nikzad Nikbin, Jan Hartwig, Andreas Kirschning
Organic_and_Biomolecular_Chemistry DOI: 10.1039/C4OB00662C


Accelerating Spirocyclic Polyketide Synthesis using Flow Chemistry
Dr Sean Newton, Dr Catherine F Carter, Dr Colin M Pearson, Leandrode C Alves, Dr Heiko Lange, Dr Praew Thansandote and Prof Steven V Ley
Angewandte_Chemie_International_Edition DOI: 10.1002/anie.201402056


Reprogramming the Mechanism of Action of Chlorambucil by Coupling to a G-Quadruplex Ligand
Marco Di Antonio, Keith I E McLuckie, and Shankar Balasubramanian
Journal_of_the_American_Chemical_Society DOI: 10.1021/ja5014344


Rare Individual Amyloid-β Oligomers Act on Astrocytes to Initiate Neuronal Damage
Priyanka Narayan, Kira M Holmström, Dong-Hyun Kim, Daniel J Whitcomb, Mark R Wilson, Peter St George-Hyslop, Nicholas W Wood, Christopher M Dobson, Kwangwook Cho, Andrey Y Abramov, and David Klenerman
Biochemistry DOI: 10.1021/bi401606f


Coupled Folding and Binding of the Disordered Protein PUMA Does Not Require Particular Residual Structure
Joseph M Rogers, Chi T Wong, and Jane Clarke
Journal_of_the_American_Chemical_Society DOI: 10.1021/ja4125065


ALMOST: An all atom molecular simulation toolkit for protein structure determination
Biao Fu, Aleksandr B Sahakyan, Carlo Camilloni, Gian Gaetano Tartaglia, Emanuele Paci, Amedeo Caflisch, Michele Vendruscolo and Andrea Cavalli
Journal_of_Computational_Chemistry DOI: 10.1002/jcc.23588


Protein film photoelectrochemistry of the water oxidation enzyme photosystem II
Masaru Kato, Jenny Z Zhang, Nicholas Paul, Erwin Reisner
Chemical_Society_Reviews DOI: 10.1039/C4CS00031E


G-quadruplexes regulate Epstein-Barr virus-encoded nuclear antigen 1 mRNA translation.
Murat P, Zhong J, Lekieffre L, Cowieson NP, Clancy JL, Preiss T, Balasubramanian S, Khanna R, Tellam J
Nat Chem Biol, 2014, -. DOI: 10.1038/nchembio.1479


Clusters of Coarse-Grained Water Molecules.
Farrell JD, Wales DJ
J Phys Chem A, 2014, -. DOI: 10.1021/jp4119666