Search Result "protein-ligand docking."


Review Article

Protein-Ligand Docking Simulations with AutoDock4 Focused on the Main Protease of SARS-CoV-2

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 0 Year: 2021 Page: 1-20
Author(s): Walter Filgueira de Azevedo Junior,Gabriela Bitencourt-Ferreira,Joana Retzke Godoy,Hilda Mayela Aran Adriano,Wallyson André dos Santos Bezerra,Alexandra Martins dos Santos Soares

Biologically Active Ligands for Yersinia Outer Protein H (YopH): Feature Based Pharmacophore Screening, Docking and Molecular Dynamics Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 7 Year: 2014 Page: 579-595
Author(s): Thangaraju Tamilvanan,Waheeta Hopper

Review Article

Relevance of Molecular Docking Studies in Drug Designing

Journal: Current Bioinformatics
Volume: 15 Issue: 4 Year: 2020 Page: 270-278
Author(s): Ritu Jakhar,Mehak Dangi,Alka Khichi,Anil Kumar Chhillar

Recent Advances in Docking and Scoring

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 93-102
Author(s): E. M. Krovat, T. Steindl, T. Langer

Scoring Functions for Prediction of Protein-Ligand Interactions

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2174-2182
Author(s): Jui-Chih Wang,Jung-Hsin Lin

eHiTS: An Innovative Approach to the Docking and Scoring Function Problems

Journal: Current Protein & Peptide Science
Volume: 7 Issue: 5 Year: 2006 Page: 421-435
Author(s):

Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 179-191
Author(s): Christoph A. Sotriffer

Ligand Docking and Structure-based Virtual Screening in Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1006-1014
Author(s): Claudio N. Cavasotto, Andrew J. W. Orry

Review Article

Docking Paradigm in Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 6 Year: 2021 Page: 507-546
Author(s): Vladimir B. Sulimov,Danil C. Kutov,Anna S. Taschilova,Ivan S. Ilin,Eugene E. Tyrtyshnikov,Alexey V. Sulimov

Review Article

Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1755-1768
Author(s): Ahmad Abu Turab Naqvi,Taj Mohammad,Gulam Mustafa Hasan,Md. Imtaiyaz Hassan

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