Current Topics in Medicinal Chemistry

Editor-in-Chief:

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

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Editorial: Computer Aided Structure-based Lead Optimization free to download

Volume:17   Issue:23
Pp: 2575-2576
Thijs Beuming and Lei Shi
DOI: 10.2174/156802661723170808161306



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

Volume:17   Issue:23
Pp: 2577-2585
Robert Abel*, Lingle Wang, David L. Mobley and Richard A. Friesner
DOI: 10.2174/1568026617666170414142131



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

Volume:17   Issue:23
Pp: 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



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

Volume:17   Issue:23
Pp: 2617-2625
Gerard Martínez-Rosell, Toni Giorgino, Matt J. Harvey and Gianni de Fabritiis*
DOI: 10.2174/1568026617666170414142549



Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review

Volume:17   Issue:23
Pp: 2626-2641
Alex Dickson*, Pratyush Tiwary and Harish Vashisth
DOI: 10.2174/1568026617666170414142908



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

Volume:17   Issue:23
Pp: 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