Search Result "AutoDock4"
Protein-Ligand Docking Simulations with AutoDock4 Focused on the Main Protease of SARS-CoV-2
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 37 Year: 2021 Page: 7614-7633
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
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
Electrostatic Potential Energy in Protein-Drug Complexes
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 24 Year: 2021 Page: 4954-4971
Author(s): Gabriela Bitencourt-Ferreira,Walter Filgueira de Azevedo Junior
A Practical Guide to Molecular Docking and Homology Modelling for Medicinal Chemists
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 18 Year: 2017 Page: 2023-2040
Author(s): Anna E. Lohning,Stephan M. Levonis,Billy Williams-Noonan,Stephanie S. Schweiker
Computational Prediction of Binding Affinity for CDK2-ligand Complexes.A Protein Target for Cancer Drug Discovery
Journal: Current Medicinal Chemistry
Volume: 29 Issue: 14 Year: 2022 Page: 2438-2455
Author(s): Martina Veit-Acosta,Walter Filgueira de Azevedo Junior
Machine Learning-Based Scoring Functions, Development and Applications with SAnDReS
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 9 Year: 2021 Page: 1746-1756
Author(s): Gabriela Bitencourt-Ferreira,Camila Rizzotto,Walter Filgueira de Azevedo Junior
Rhodomyrtone Target Exploration: Computer Aided Search on Staphylococcus aureus Key Proteins as a Potential Therapeutic Target
Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 119-134
Author(s): Dennapa Saeloh,Varomyalin Tipmanee,Supayang P. Voravuthikunchai
Biological Evaluation and Molecular Modeling of 3,4-dihydropyrimidine- 2(1H)-one Derivatives as Cytotoxic Agents on Breast Cancer In Vitro
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 8 Year: 2020 Page: 983-992
Author(s): Hoda Sharifi,Ahmad Ebadi,Meysam Soleimani
Computational Studies of Allylpyrocatechol from Piper betle L. as InhibitorAgainst Superoxide Dismutase, Catalase, and Glutathione peroxidase asAntioxidant Enzyme
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 3 Year: 2024 Page: 559-567
Author(s): Sefren Geiner Tumilaar,Geofanny Sarah Hutabarat
Application of Machine Learning Techniques to Predict Binding Affinity for Drug Targets: A Study of Cyclin-Dependent Kinase 2
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 2 Year: 2021 Page: 253-265
Author(s): Gabriela Bitencourt-Ferreira,Amauri Duarte da Silva,Walter Filgueira de Azevedo Jr.