Lactam Dimers

Seven-Membered Lactams

This page contains information on the structures of lactam -turn analogues and the dimeric forms that they adopt in solution.



cis-substituted lactam 1a

(Amber force field, chloroform, cislactam_amber_chcl3_mc)
lactam/cislactam_amber_chcl3_mc.log
lactam/cislactam_amber_vacuo_mc.log

cis-substituted lactam 1a

(MM2 force field, in vacuo, cislactam_mm2_vacuo_mc)
lactam/cislactam_mm2_vacuo_mc.log
lactam/cislactam_mm2_chcl3_mc.log
(MM3 force field, in vacuo, cislactam_mm3_vacuo_mc)
lactam/cislactam_mm3_vacuo_mc.log

(MM3 force field, chloroform, cislactam_mm3_chcl3_mc)
lactam/cislactam_mm3_chcl3_mc.log



trans-substituted lactam 2a

(Amber force field, in vacuo, translactam_amber_vacuo_mc)
lactam/translactam_amber_vacuo_mc.log
lactam/translactam_amber_chcl3_mc.log

trans-substituted lactam 2a

(Amber force field, chloroform, translactam_amber_vacuo_mc)
lactam/translactam_amber_chcl3_mc.log
lactam/translactam_amber_vacuo_mc.log
lactam/translactam_mm3_chcl3_mc.log
lactam/translactam_mm3_vacuo_mc.log

trans-substituted lactam 2b

(Amber force field, in vacuo, transtbutyl_amber_vacuo_mc)
lactam/transtbutyl_amber_vacuo_mc.log
lactam/transtbutyl_amber_chcl3_mc.log
lactam/transtbutyl_mm2_chcl3_mc.log
lactam/transtbutyl_mm2_vacuo_mc.log
lactam/transtbutyl_mm3_chcl3_mc.log
lactam/transtbutyl_mm3_vacuo_mc.log

Dimer 6

(Amber force field, chloroform, cisdimerbb_amber_chcl3_mc)
lactam/cisdimerbb_amber_chcl3_mc.log
lactam/cisdimer_mm2_chcl3_mc.log

Dimer 7

(Amber force field, chloroform, dimerttb9_amber_chcl3_mm)
dimerttb9_amber_chcl3_mm.log
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