The AAPS Journal: New Paradigms in Pharmaceutical Sciences: In Silico Drug Discovery

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The AAPS Journal

New Paradigms in Pharmaceutical Sciences: In Silico Drug Discovery

Guest Editor(s): Xiang-Qun Xie Status: Open

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TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database
Author(s): Lirong Wang; Chao Ma; Peter Wipf; Haibin Liu; Weiwei Su; Xiang-Qun Xie
Pocket-Based Drug Design: Exploring Pocket Space
Author(s): Xiliang Zheng; LinFeng Gan; Erkang Wang; Jin Wang
Monoamine Transporter Structure, Function, Dynamics, and Drug Discovery: A Computational Perspective
Author(s): Sankar Manepalli; Christopher K. Surratt; Jeffry D. Madura; Tammy L. Nolan
Rationalizing Structure and Target Relationships between Current Drugs
Author(s): Ye Hu; Jürgen Bajorath
Drug Repurposing: Far Beyond New Targets for Old Drugs
Author(s): T. I. Oprea; J. Mestres
Paradigm Shift in Toxicity Testing and Modeling
Author(s): Hongmao Sun; Menghang Xia; Christopher P. Austin; Ruili Huang
Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
Author(s): Tiejun Cheng; Qingliang Li; Zhigang Zhou; Yanli Wang; Stephen H. Bryant

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