Search Result "MM/PBSA."
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005
Molecular Recognition by beta-Cyclodextrin Derivatives: FEP vs MM / PBSA Study
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 605-611
Author(s): I. Bea, E. cervello, P. A. Kollman, C. jaime
Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2293-2307
Author(s): Ting Fu,Zhong Jin,Zhilong Xiu,Guohui Li
Insights on Microsomal Prostaglandin E2 Synthase 1 (mPGES-1)Inhibitors using Molecular Dynamics and MM/PBSA Calculations
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 6 Year: 2024 Page: 1033-1047
Author(s): Igor José dos Santos Nascimento
Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 287-306
Author(s): Junmei Wang, Tingjun Hou, Xiaojie Xu
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: AStudy by Applying Virtual Screening, Molecular Dynamics, MM-PBSACalculations and Covalent Docking
Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 7 Year: 2022 Page: 637-653
Author(s): Igor José dos Santos Nascimento,Thiago Mendonça de Aquino,Edeildo Ferreira da Silva-Júnior
Revisiting the South Indian Traditional Plants against Several Targets ofSARS-CoV-2 - An in silico Approach
Journal: Current Computer-Aided Drug Design
Volume: 19 Issue: 3 Year: 2023 Page: 202-233
Author(s): Narasimha Rao Gaddam,Jaya Preethi Peesa,Mohammed Afzal Azam
Synthesis, Molecular Docking and Dynamics Simulation Studies of New 7-oxycoumarin Derivatives as Potential Antioxidant Agents
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1572-1587
Author(s): Nehad A. Abdel Latif,Rasha Z. Batran,Salwa F. Mohamed,Mohammed A Khedr,Mohamed I. Kobeasy,Sara A.F. Al- Shehri,Hanem M. Awad
Accommodating Protein Flexibility for Structure-Based Drug Design
Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 171-178
Author(s): Jung-Hsin Lin
Acarbose Potentially Binds to the Type I Peptide Deformylase Catalytic Site andInhibits Bacterial Growth: An In Silico and In Vitro Study
Journal: Current Pharmaceutical Design
Volume: 28 Issue: 35 Year: 2022 Page: 2890-2900
Author(s): Atul Kumar Singh,Kumari Sunita Prajapati