Search Result "Proteinligand docking."


Molecular Docking Studies

Ebook: Quick Guideline for Computational Drug Design
Volume: 1 Year: 2018
Author(s): Sheikh Arslan Sehgal,Rana Adnan Tahir,A. Hammad Mirza,Asif Mir
Doi: 10.2174/9781681086033118010011

ParDOCK: An All Atom Energy Based Monte Carlo Docking Protocol for Protein-Ligand Complexes

Journal: Protein & Peptide Letters
Volume: 14 Issue: 7 Year: 2007 Page: 632-646
Author(s): A. Gupta, A. Gandhimathi, P. Sharma, B. Jayaram

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.

Scope and Limitation of Ligand Docking: Methods, Scoring Functions and Protein Targets

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 3 Year: 2005 Page: 275-306
Author(s): L. David, P. Aadal Nielsen, M. Hedstrom, B. Norden

Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Journal: Current Pharmaceutical Biotechnology
Volume: 16 Issue: 1 Year: 2015 Page: 11-25
Author(s): Tao Wang,Mian-Bin Wu,Zheng-Jie Chen,Hua Chen,Jian-Ping Lin,Li-Rong Yang

Research Article

Molecular Docking and In Silico ADMET Study Reveals Flavonoids as a Potential Inhibitor of Aromatase

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1267-1276
Author(s): Umang Shah,Samir Patel,Mehul Patel,Jagat Upadhayay

Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 237-244
Author(s): Vytautas Raškevičius,Visvaldas Kairys

Research Article

Stilbene-based Derivatives as Potential Inhibitors of Bcl-2 AntiapoptoticProteins: A Molecular Docking Study and ADMET Prediction

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 13 Year: 2024 Page: 2728-2739
Author(s):

Review Article

Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2663-2680
Author(s): Alejandro Crespo,Agustina Rodriguez-Granillo,Victoria T. Lim

Molecular Docking of Opiates and Opioid Peptides, a Tool for the Design of Selective Agonists and Antagonists, and for the Investigation of Atypical Ligand-Receptor Interactions

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 11 Year: 2012 Page: 1587-1601
Author(s): L. Gentilucci,A. Tolomelli,R. De Marco,R. Artali

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