Search Result "Covalent docking"


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

Direct Covalent Modification as a Strategy to Inhibit Nuclear Factor-Kappa B

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2009 Page: 4261-4273
Author(s): V. Pande, S. F. Sousa, M. J. Ramos

Modeling Reality for Optimal Docking of Small Molecules to Biological Targets

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 241-263
Author(s): Christopher R. Corbeil, Eric Therrien, Nicolas Moitessier

Research Article

Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: AStudy by Applying Virtual Screening, Molecular Dynamics, MM-PBSACalculations and Covalent Docking

Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 0 Year: 2022 Page: 1-17
Author(s): Igor José dos Santos Nascimento,Thiago Mendonça de Aquino,Edeildo Ferreira da Silva-Júnior

Recognition-induced Conformational Changes in Protein-Protein Docking

Journal: Current Pharmaceutical Biotechnology
Volume: 9 Issue: 2 Year: 2008 Page: 77-86
Author(s): M. F. Lensink, R. Mendez

Explicit Treatment of Water Molecules in Protein-Ligand Docking

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 145-154
Author(s): Oscar Villacanas, Sergio Madurga, Ernest Giralt, Ignasi Belda

Docking Screens: Right for the Right Reasons?

Journal: Current Topics in Medicinal Chemistry
Volume: 9 Issue: 9 Year: 2009 Page: 755-770
Author(s): Peter Kolb, John J. Irwin

Review Article

Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective

Journal: Current Drug Targets
Volume: 20 Issue: 5 Year: 2019 Page: 501-521
Author(s): Surovi Saikia,Manobjyoti Bordoloi

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 146-157
Author(s): Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei, Meng Cui

QSAR and Docking Studies on Different Series of Histone Deacetylase Inhibitors (HDACIs)

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 4 Year: 2012 Page: 367-378
Author(s): Yuhong Xiang, Liang Zhang, Zhuoyong Zhang

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