Search Result "autoDock vina"


A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina

Journal: Current Drug Discovery Technologies
Volume: 12 Issue: 3 Year: 2015 Page: 170-178
Author(s): Vsevolod Yu. Tanchuk,Volodymyr O. Tanin,Andriy I. Vovk,Gennady Poda

Research Article

Rational Drug Discovery of HCV Helicase Inhibitor: Improved Docking Accuracy with Multiple Seeding in AutoDock Vina and In Si tu Minimization

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 2 Year: 2017 Page: 160-169
Author(s): See K. Lim,Rozana Othman,Rohana Yusof,Choon H. Heh

Research Article

Enhancing Scoring Performance of Docking-Based Virtual Screening Through Machine Learning

Journal: Current Bioinformatics
Volume: 11 Issue: 4 Year: 2016 Page: 408-420
Author(s): Cândida G. Silva,Carlos J.V. Simoes,Pedro Carreiras,Rui M.M. Brito

Review Article

Virtual Screening for the Development of Dual-Inhibitors Targeting Topoisomerase IB and Tyrosyl-DNA Phosphodiesterase 1

Journal: Current Drug Targets
Volume: 18 Issue: 5 Year: 2017 Page: 544-555
Author(s): Francesca Cardamone,Simone Pizzi,Federico Iacovelli,Mattia Falconi,Alessandro Desideri

Research Article

Four Types of Novel Potential Malate Synthase Inhibitors from Virtual Screening

Journal: Current Enzyme Inhibition
Volume: 13 Issue: 3 Year: 2017 Page: 176-183
Author(s): Ming-Liang Chang,Yong He,Chuan Zhao,Lan-Fang Hao,Shao-Yong Li

Research Article

Pharmacoinformatics and Molecular Docking Studies Reveal Potential Novel Compounds Against Schizophrenia by Target SYN II

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 3 Year: 2018 Page: 175-181
Author(s): Rana Adnan Tahir,Sheikh Arslan Sehgal

Research Article

Antiallergy Drugs as Potent Inhibitors of Lipase with Structure-activity Relationships and Molecular Docking

Journal: Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry
Volume: 17 Issue: 2 Year: 2018 Page: 95-101
Author(s): Benarous Khedidja,Benguechoua Madjda,Ghibeche Abderrahmane

Research Article

In Silico Screening of Some Anti-Cancer Drugs Against the Main Proteaseof COVID-19 Using Molecular Docking

Journal: Letters in Organic Chemistry
Volume: 20 Issue: 1 Year: 2023 Page: 77-90
Author(s):

Research Article

Molecular Docking Studies of Methamphetamine and Amphetamine- Related Derivatives as an Inhibitor against Dopamine Receptor

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 2 Year: 2020 Page: 122-133
Author(s): Kobra Foroughi,Mehdi Khaksari,Asghar Shayannia

Computational Approaches to Screen Candidate Ligands with Anti- Parkinson’s Activity Using R Programming

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 16 Year: 2012 Page: 1807-1814
Author(s): R.M. Jayadeepa,M.S. Niveditha

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