Search Result "AutoDock"


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

Virtual Screening of NCI Diversity Set II Lead to New Cyclin-Dependent Kinases 5 Inhibitors Using AutoDock

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 3 Year: 2016 Page: 234-242
Author(s): Siripit Pitchuanchom,Chavi Yenjai,Chantana Boonyarat,Stefano Forli,Arthur J. Olson

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

Performance Evaluation of Docking Programs- Glide, GOLD, AutoDock & SurflexDock, Using Free Energy Perturbation Reference Data: A Case Study of Fructose-1, 6-bisphosphatase-AMP Analogs

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1179-1187
Author(s): K. Kumar Reddy,R.S. Rathore,P. Srujana,R.R. Burri,C. Ravikumar Reddy,M. Sumakanth,Pallu Reddanna,M. Rami Reddy

Water Molecules Increases Binding Affinity of Natural PI3Kγ Inhibitors Against Cancer

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 304-320
Author(s): Pooja Sharma,Aparna Shukla,Komal Kalani,Vijaya Dubey,Santosh Kumar Srivastava,Suaib Luqman,Feroz Khan

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

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):

DNA Binders: 2. Molecular Recognition of DNA by 2,3,6,7-tetrahydro-1Hpyrrolo[1,2-a]indole-1,8(5H)-dione bis(4,5-dihydro-1H-imidazol-2-ylhydrazone) as a Prototype of “Two-Armed” Intercalating Agents

Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 4 Year: 2009 Page: 246-251
Author(s): Roberto Dallocchio, Alessandro Dessi, Vanna Sanna, Nicolino Pala, Ilaria Campesi, Giuseppe Paglietti, Mario Sechi

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

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

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