Search Result "MM-GBSA (MolecularMechanics-Generalized Born Surface Area)"
South African (501Y.V2) and the United Kingdom (B.1.1.7) SARS-CoV-2Spike (S) Protein Variants Demonstrate a Higher Binding Affinity toACE2
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 26 Issue: 3 Year: 2023 Page: 589-594
Author(s):
Integrating Multiple Receptor Conformation Docking and Multi Dimensional QSAR for Enhancing Accuracy of Binding Affinity Prediction
Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 2 Year: 2017 Page: 127-142
Author(s): Vangala Radhika,Hassan A. Jaraf,Sivan S. Kanth,Manga Vijjulatha
In silico Mutagenesis and Modeling of Decoy Peptides Targeting CIB1 toObscure its Role in Triple-negative Breast Cancer Progression
Journal: Current Pharmaceutical Design
Volume: 29 Issue: 8 Year: 2023 Page: 630-638
Author(s):
Molecular Dynamics Applied to Discover Antiviral Agents
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Igor José dos Santos Nascimento
Doi: 10.2174/9789815036848122060005
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Computational Approaches in Evaluating the 5-HT Subtype Receptor Mechanism of Action for Developing Novel Chemical Entities
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070003
Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004