Search Result "ensemble docking"


Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004

Artificial Neural Networks for Efficient Clustering of Conformational Ensembles and their Potential for Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 642-651
Author(s): Alessandro Pandini, Domenico Fraccalvieri, Laura Bonati

Emerging Methods for Ensemble-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 3-13
Author(s): Rommie E. Amaro, Wilfred W. Li

Evaluation of Molecular Docking Using Polynomial Empirical Scoring Functions

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1062-1070
Author(s): Raquel Dias, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, Walter Filgueira de Azevedo Jr.

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

Homology Models in Docking and High-Throughput Docking

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 1528-1534
Author(s): Claudio N. Cavasotto

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

Docking: Successes and Challenges

Journal: Current Pharmaceutical Design
Volume: 11 Issue: 3 Year: 2005 Page: 323-333
Author(s): Venkatraman Mohan, Alan C. Gibbs, Maxwell D. Cummings, Edward P. Jaeger, Renee L. DesJarlais

Review Article

Consensus Docking in Drug Discovery

Journal: Current Bioactive Compounds
Volume: 16 Issue: 3 Year: 2020 Page: 182-190
Author(s): Giulio Poli,Tiziano Tuccinardi

Review Article

Parallelization of Molecular Docking: A Review

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 12 Year: 2018 Page: 1015-1028
Author(s): Dong Dong,Zhijian Xu,Wu Zhong,Shaoliang Peng

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