Search Result "Molecular docking"


Molecular Docking and Dynamics Simulation Study on the Influence of Zn2+ on the Binding Modes of Aggrecanase with its Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 10 Year: 2014 Page: 891-903
Author(s): Panneer S.R. Suganya,Sukesh kalva,Lilly M. Saleena

Data Mining of Docking Results. Application to 3-Dehydroquinate Dehydratase

Journal: Current Bioinformatics
Volume: 9 Issue: 4 Year: 2014 Page: 361-379
Author(s): Mauricio Boff de Avila,Walter Filgueira de Azevedo Jr.

Virtual Screening and Molecular Descriptor Analysis on Dietary Phytochemicals Against Heat Shock Protein 90 Enzyme

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 1 Year: 2014 Page: 40-49
Author(s): Salam Pradeep Singh,Bolin Kumar Konwar

Synthesis, In Vitro Biological Screening and Molecular Docking Studies of Novel Camphor-Based Thiazoles

Journal: Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2014 Page: 600-608
Author(s): Krzysztof Z. Laczkowski, Konrad Misiura, Anna Biernasiuk, Anna Malm, Agata Siwek, Tomasz Plech, Emilia Ciok-Pater, Krzysztof Skowron, Eugenia Gospodarek

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira,Wagner F. Couto,Vanessa Fontana,Carlton A. Taft,Carlos H.T.P. Da Silva

Methods for Docking Small Molecules to Macromolecules: A User’s Perspective. 1. The Theory

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3338-3359
Author(s): Nathanael Weill,Eric Therrien,Valerie Campagna-Slater,Nicolas Moitessier

Methods for Docking Small Molecules to Macromolecules: A User’s Perspective. 2. Applications

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3360-3372
Author(s): Valerie Campagna-Slater,Eric Therrien,Nathanael Weill,Nicolas Moitessier

Discovery of Novel CK2 Leads by Cross-Docking Based Virtual Screening

Journal: Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2014 Page: 628-639
Author(s): Haopeng Sun, Xiaowen Wu, Xiaoli Xu, Zhengyu Jiang, Zongliang Liu, Qidong You

Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 1 Year: 2014 Page: 83-95
Author(s): Maryam Farrokhnia,Iraj Nabipour

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