Search Result "MMPBSA"
Molecular Dynamic Simulation and 3d-pharmacophore Modeling of AlphaMangostin and Its Derivatives against Estrogen Alpha Receptor
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 6 Year: 2024 Page: 1103-1119
Author(s): Fateen Izzah Haziqah Binti Parlan
The Potential Roles of Ficus carica Extract in the Management of COVID-19Viral Infections: A Computer-aided Drug Design Study
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 974-987
Author(s): Mahmoud A. El Hassab,Mohammed A. S. Abourehab,Ashwag S. Alanazi,Wagdy M. Eldehna,Fotouh R. Mansour
Affinity Prediction of Shikonins Towards Sirtuins and the Requisite Structural Motifs for the Selective Inhibition of SIRT2 and SIRT3
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 4 Year: 2024 Page: 724-737
Author(s):
Comprehensive Investigation of Natural Ligands as Inhibitors of β Secretase to Identify Alzheimerâs Disease Therapeutics
Journal: Current Alzheimer Research
Volume: 21 Issue: 9 Year: 2024 Page: 667-678
Author(s):
Scaffold Hopping for Identification of Novel PKCβII Inhibitors Based on Ligand and Structural Approaches, Virtual Screening and Molecular Dynamics Study
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 1 Year: 2014 Page: 2-11
Author(s): Baljinder K. Grewal,Masilamani E. Sobhia
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
In silico Identification of Fructose-1,6-biphosphatase Inhibitory Potentialsof Xanthones Isolated from African Medicinal Plants: An IntegratedComputational Approach
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 10 Year: 2024 Page: 1675-1693
Author(s): Rajesh B. Patil,Onikepe Deborah Owoseeni,Prajakta M. Phage,Samson Oluwaseyi Famuyiwa,Felix Olusegun Gboyero,Glory Mayokun Arowojolu,Kolade Olatubosun Faloye
Virtual Screening of Telaprevir and Danoprevir Derivatives for Hepatitis C Virus NS3/4A Protease Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 4 Year: 2024 Page: 809-822
Author(s): Rajesh Kumar Das
Neuroprotective Efficacy of Phytoconstituents of Methanolic Shoots Extract of Calligonum polygonoides L. in Hypercholesterolemia-associated Neurodegenerations
Journal: Endocrine, Metabolic & Immune Disorders - Drug Targets
Volume: 25 Issue: 2 Year: 2025 Page: 152-172
Author(s):
Computational Studies and Antimicrobial Activity of 1-(benzo[d]oxazol-2-yl)-3,5-diphenylformazan Derivatives
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 835-846
Author(s): Ahad Amer Alsaiari