Contents
Combinatorial Chemistry & High Throughput Screening, Volume 4 - Number 8
Molecular Recognition by beta-Cyclodextrin Derivatives: FEP vs MM / PBSA Study
, 4(8): 605 - 611I. Bea, E. cervello, P. A. Kollman and C. jaime
DOI: 10.2174/1386207013330689
The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies
, 4(8): 613 - 626Johan Aqvist and John Marelius
DOI: 10.2174/1386207013330661
Comparative Binding Energy (COMBINE) Analysis of Human Neutrophil Elastase Inhibition by Pyridone-containing Trifluoromethylketones
, 4(8): 627 - 642Carmen Cuevas, Manuel Pastor, Carlos Perez and Federico Gago
DOI: 10.2174/1386207013330742
Automatic Procedures for Protein Design
, 4(8): 643 - 659Alfonso Jaramillo, Lorenz Wernisch, Stephanie Hery and Shosana J. Wodak
DOI: 10.2174/1386207013330724
An Evolutionary Approach for Structure-based Design of Natural and Non-natural Peptidic Ligands
, 4(8): 661 - 673Nicolas Budin, Shaheen Ahmed, Nicolas Majeux and Amedeo Caflisch
DOI: 10.2174/1386207013330652
Conformation and Dynamics of Normal and Damaged DNA
, 4(8): 675 - 706Edward L. Rachofsky, J.B. Alexander Ross and Roman Osman
DOI: 10.2174/1386207013330706
High-speed Molecular Mechanics Searches for Optimal DNA Interaction Sites
, 4(8): 707 - 717Ingrid Lafontaine and Richard Lavery
DOI: 10.2174/1386207013330698
BindingDB: A Web-Accessible Molecular Recognition Database
, 4(8): 719 - 725Xi Chen, Ming Liu and Michael K. Gilson
DOI: 10.2174/1386207013330670
Gene Assessment and Sample Classification for Gene Expression Data Using a Genetic Algorithm / k-nearest Neighbor Method
, 4(8): 727 - 739Leping Li, Thomas A. Darden, Clarice R. Weingberg, A. J. Levine and Lee G. Pedersen
DOI: 10.2174/1386207013330733
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