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Current Topics in Medicinal Chemistry

Volume 19, 32 Issues, 2019
ISSN: 1873-4294 (Online)
ISSN: 1568-0266 (Print)
This journal supports open access

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  • 20th of 61 in

    Chemistry, Medicinal

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Contents

Current Topics in Medicinal Chemistry, Volume 17 - Number 23


Review Article

A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations

, 17(23): 2577 - 2585

Robert Abel, Lingle Wang, David L. Mobley and Richard A. Friesner


DOI: 10.2174/1568026617666170414142131



Review Article

Calculating Water Thermodynamics in the Binding Site of Proteins – Applications of WaterMap to Drug Discovery

, 17(23): 2586 - 2598

Daniel Cappel, Woody Sherman and Thijs Beuming


DOI: 10.2174/1568026617666170414141452



Review Article

A Perspective on Water Site Prediction Methods for Structure Based Drug Design

, 17(23): 2599 - 2616

Alan P. Graves, Ian D. Wall, Colin M. Edge, James M. Woolven, Guanglei Cui, Armelle Le Gall, Xuan Hong, Kaushik Raha and Eric S. Manas


DOI: 10.2174/1568026617666170427095035



Review Article

Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

, 17(23): 2617 - 2625

Gerard Martínez-Rosell, Toni Giorgino, Matt J. Harvey and Gianni de Fabritiis


DOI: 10.2174/1568026617666170414142549



Review Article

Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review

, 17(23): 2626 - 2641

Alex Dickson, Pratyush Tiwary and Harish Vashisth


DOI: 10.2174/1568026617666170414142908



Review Article

Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology

, 17(23): 2642 - 2662

Robert A. Pearlstein, Daniel J.J. McKay, Viktor Hornak, Callum Dickson, Andrei Golosov, Tyler Harrison, Camilo Velez-Vega and José Duca


DOI: 10.2174/1568026617666170414152311



Review Article

Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization

, 17(23): 2663 - 2680

Alejandro Crespo, Agustina Rodriguez-Granillo and Victoria T. Lim


DOI: 10.2174/1568026617666170707120609



Review Article

Computational Models for Understanding of Structure, Function and Pharmacology of the Cardiac Potassium Channel Kv11.1 (hERG)

, 17(23): 2681 - 2702

Soren Wacker, Sergei Yu. Noskov and Laura L. Perissinotti


DOI: 10.2174/1568026617666170414143430



Review Article

Computational Screening and Design for Compounds that Disrupt Protein-protein Interactions

, 17(23): 2703 - 2714

David K. Johnson and John Karanicolas


DOI: 10.2174/1568026617666170508153904





Editor-in-Chief

Allen B. Reitz
Fox Chase Chemical Diversity Center, Inc.
Doylestown, PA
USA

Biography View Full Editorial Board

Journal History

Current Topics in Medicinal Chemistry was introduced in 2001 with the assistance of Dr. Allen B. Reitz, who is the current Editor-in-Chief serving since 2001.
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Scopus CiteScore Metrics: 2.16


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