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Current Topics in Medicinal Chemistry

Volume 20, 32 Issues, 2020
ISSN: 1873-4294 (Online)
ISSN: 1568-0266 (Print)
This journal supports open access

In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research


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


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

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COPE Compliant

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.
Scopus CiteScore Metrics: 2.99


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