Combinatorial Chemistry & High Throughput Screening
Accelerated Technologies for Biotechnology, Bioassays, Medicinal Chemistry and Natural Products Research
Volume 24, 10 Issues, 2021
ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)
This journal supports open access
ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)
This journal supports open access
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
Editor-in-Chief
Gerald H. Lushington
LiS Consulting
Lawrence, KS
(USA)
Biography
LiS Consulting
Lawrence, KS
Biography
Biography of Gerald H. Lushington
Dr. Gerald Lushington received his Ph.D. in Chemistry from the University of New Brunswick. The author of 181 journal articles, nine book chapters and four patents, Lushington is currently Principal Consultant at LiS Consulting, and serves as Adjunct Professor of Food Nutrition Dietetic Health at Kansas State University. With more than 25 years experience in the application of molecular modeling, simulation and informatics to a diverse range of scientific applications, Lushington's primary areas of focus are in drug discovery and pharmacology.
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Journal History
Combinatorial Chemistry & High Throughput Screening Journal was launched in 1998. Dr. Gerald H. Lushington serves as the Editor-in-Chief of the journal.
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