Search Result "MMGBSA calculation"
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
Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations
Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini
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
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
Calculating Water Thermodynamics in the Binding Site of Proteins â Applications of WaterMap to Drug Discovery
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2586-2598
Author(s): Daniel Cappel,Woody Sherman,Thijs Beuming
Mesalamine may be a Plausible Therapeutic Agent for the Management ofDiabetic Wounds: A Computational Approach
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 10 Year: 2024 Page: 1779-1783
Author(s): Bharat Kumar Reddy Sanapalli
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
Synthesis and Evaluation of Antimicrobial Activity of N-Substituted Indole Derivativesand Molecular Docking Studies
Journal: Current Organic Chemistry
Volume: 26 Issue: 16 Year: 2022 Page: 1565-1574
Author(s):
Virtual Screening and In Silico Simulation Analysis for Rapid and Efficient Identification of Novel Natural GPR40 Agonist
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 5 Year: 2020 Page: 533-546
Author(s): Virendra Nath,Rohini Ahuja,Vipin Kumar
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