Contents

Combinatorial Chemistry & High Throughput Screening, Volume 4 - Number 8

Preface

, 4(8): i

Jesus Giraldo


DOI: 10.2174/1386207013330715




Molecular Recognition by beta-Cyclodextrin Derivatives: FEP vs MM / PBSA Study

, 4(8): 605 - 611

I. 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 - 626

Johan 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 - 642

Carmen Cuevas, Manuel Pastor, Carlos Perez and Federico Gago


DOI: 10.2174/1386207013330742




Automatic Procedures for Protein Design

, 4(8): 643 - 659

Alfonso 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 - 673

Nicolas Budin, Shaheen Ahmed, Nicolas Majeux and Amedeo Caflisch


DOI: 10.2174/1386207013330652




Conformation and Dynamics of Normal and Damaged DNA

, 4(8): 675 - 706

Edward 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 - 717

Ingrid Lafontaine and Richard Lavery


DOI: 10.2174/1386207013330698




BindingDB: A Web-Accessible Molecular Recognition Database

, 4(8): 719 - 725

Xi 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 - 739

Leping Li, Thomas A. Darden, Clarice R. Weingberg, A. J. Levine and Lee G. Pedersen


DOI: 10.2174/1386207013330733




MEET THE GUEST EDITOR

, 4(8): 741

Jesus Giraldo


DOI: 10.2174/1386207013330643




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