Current Topics in Medicinal Chemistry
Volume 20, 32 Issues, 2020
ISSN: 1873-4294 (Online)
ISSN: 1568-0266 (Print)
This journal supports open access
ISSN: 1873-4294 (Online)
ISSN: 1568-0266 (Print)
This journal supports open access
Ranking and Category
-
20th of 61 in
Chemistry, Medicinal
Contents
Current Topics in Medicinal Chemistry, Volume 17 - Number 23
Editorial
Editorial: Computer Aided Structure-based Lead Optimization
, 17(23): 2575 - 2576Thijs Beuming and Lei Shi
DOI: 10.2174/156802661723170808161306
Review Article
A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations
, 17(23): 2577 - 2585Robert Abel, Lingle Wang, David L. Mobley and Richard A. Friesner
DOI: 10.2174/1568026617666170414142131
A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations
Review Article
Calculating Water Thermodynamics in the Binding Site of Proteins – Applications of WaterMap to Drug Discovery
, 17(23): 2586 - 2598Daniel Cappel, Woody Sherman and Thijs Beuming
DOI: 10.2174/1568026617666170414141452
Calculating Water Thermodynamics in the Binding Site of Proteins – Applications of WaterMap to Drug Discovery
Review Article
A Perspective on Water Site Prediction Methods for Structure Based Drug Design
, 17(23): 2599 - 2616Alan 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
A Perspective on Water Site Prediction Methods for Structure Based Drug Design
Review Article
Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale
, 17(23): 2617 - 2625Gerard Martínez-Rosell, Toni Giorgino, Matt J. Harvey and Gianni de Fabritiis
DOI: 10.2174/1568026617666170414142549
Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale
Review Article
Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review
, 17(23): 2626 - 2641Alex Dickson, Pratyush Tiwary and Harish Vashisth
DOI: 10.2174/1568026617666170414142908
Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review
Review Article
Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology
, 17(23): 2642 - 2662Robert A. Pearlstein, Daniel J.J. McKay, Viktor Hornak, Callum Dickson, Andrei Golosov, Tyler Harrison, Camilo Velez-Vega and José Duca
DOI: 10.2174/1568026617666170414152311
Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology
Review Article
Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization
, 17(23): 2663 - 2680Alejandro Crespo, Agustina Rodriguez-Granillo and Victoria T. Lim
DOI: 10.2174/1568026617666170707120609
Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization
Review Article
Computational Models for Understanding of Structure, Function and Pharmacology of the Cardiac Potassium Channel Kv11.1 (hERG)
, 17(23): 2681 - 2702Soren Wacker, Sergei Yu. Noskov and Laura L. Perissinotti
DOI: 10.2174/1568026617666170414143430
Computational Models for Understanding of Structure, Function and Pharmacology of the Cardiac Potassium Channel Kv11.1 (hERG)
Review Article
Computational Screening and Design for Compounds that Disrupt Protein-protein Interactions
, 17(23): 2703 - 2714David K. Johnson and John Karanicolas
DOI: 10.2174/1568026617666170508153904
Computational Screening and Design for Compounds that Disrupt Protein-protein Interactions
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Editor-in-Chief
Allen B. Reitz
Fox Chase Chemical Diversity Center, Inc.
Doylestown, PA
USA
Biography
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Fox Chase Chemical Diversity Center, Inc.
Doylestown, PA
USA
Biography
Biography of Allen B. Reitz
Dr. Reitz obtained a doctorate (Ph.D.) in Chemistry from the University of California, San Diego. Dr. Reitz also holds an Executive Masters in Technology Management from the University of Pennsylvania (Wharton, Penn Engineering).
Currently Dr. Reitz is also an Adjunct Professor in the Drexel University College of Medicine. He has published more than 150 scientific publications and is a named inventor of 60 issued U.S patents.
Dr. Reitz was the founding Editor (2000) and is currently the Editor-in-Chief of this journal (Current Topics in Medicinal Chemistry, CTMC), published by Bentham Science Publishers.
About the Journal
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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.
Webmaster Contact: info@benthamscience.net