Search Result "MMGBSA"
Identifying Novel Inhibitors for Dengue NS2B-NS3 Protease by Combining Topological similarity, Molecular Dynamics, MMGBSA and SiteMapAnalysis
Journal: Current Computer-Aided Drug Design
Volume: 21 Issue: 0 Year: 2025 Page: 1-18
Author(s): Mohd Usman Mohd Siddique,Kumar Pratyush Srivastava,Yogeeta O. Agarwal,Mohd Sayeed Shaikh,Md Saquib Hasnain,Sameer N. Goyal
Computational Investigation of Endophytic Fungal (Penicillium citrinumCGJ-C2) Compound and Its In-silico Derivatives for the Inhibition ofRNA-Dependent RNA Polymerase of SARS-CoV-2
Journal: Coronaviruses
Volume: 4 Issue: 4 Year: 2023 Page: 68-78
Author(s): Chandrasekhar G Joshi,Ajay S Khandagale
Computational Study Reveals the Inhibitory Effects of Chemical Constituentsfrom Azadirachta indica (Indian Neem) Against Delta and OmicronVariants of SARS-CoV-2
Journal: Coronaviruses
Volume: 3 Issue: 5 Year: 2022 Page: 62-72
Author(s): Waseem Ahmad Ansari,Mohsin Ali Khan,Zaw Ali Khan,Mohammad Faheem Khan
Molecular Docking and Dynamic Simulation Approach to Target Penicillin-Binding Protein 1B (LpoB) of Salmonella typhimurium with Flavonoids
Journal: Current Pharmaceutical Analysis
Volume: 20 Issue: 8 Year: 2024 Page: 849-862
Author(s): Mohammed Naveez Valathoor
Reliability of Virtual Screening Methods in Prediction of PDE4Binhibitor Activity
Journal: Current Drug Discovery Technologies
Volume: 12 Issue: 2 Year: 2015 Page: 117-126
Author(s): Victoria Shubina,Sanna Niinivehmas,Olli T. Pentikainen
Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights fromComputational Screening of BACE1 and GSK-3β
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 998-1012
Author(s):
Identification of Selective JAK3/STAT1 and CYP34A fromPyrazolopyrimidine Derivatives: A Search for Potential Drug Targets forRheumatoid Arthritis using In-silico Drug Discovery Techniques
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 10 Year: 2024 Page: 1755-1778
Author(s): Ibrahim M. Ibrahim,Samar Zuhair Alshawwa
Potential Antidiabetic Activity of β-sitosterol from Zingiber roseum Rosc. viaModulation of Peroxisome Proliferator-activated Receptor Gamma(PPARγ)
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 27 Issue: 11 Year: 2024 Page: 1676-1699
Author(s): A. F. M. Shahid Ud Daula
Identification of Novel Pancreatic Lipase Inhibitors Using In Silico Studies
Journal: Endocrine, Metabolic & Immune Disorders - Drug Targets
Volume: 19 Issue: 4 Year: 2019 Page: 449-457
Author(s): Umesh Panwar,Sanjeev Kumar Singh
Unveiling the Anti-convulsant Potential of Novel Series of 1,2,4-Triazine-6H-Indolo[2,3-b]quinoline Derivatives: In Silico Molecular Docking, ADMET,DFT, and Molecular Dynamics Exploration
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 822-834
Author(s):