Search Result "MM/GBSA"
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
A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1631-1639
Author(s): Xiaohua Zhang,Horacio Perez-Sanchez,Felice C. Lightstone
Assessing the Performance of GOLD, Glide and MM-GBSA on a Datasetof Hydrazide-hydrazone-based Tuberculostatics
Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 10 Year: 2023 Page: 1557-1568
Author(s):
Identification of Novel GSK1070916 Analogs as Potential Aurora B Inhibitors: Insights from Molecular Dynamics and MM/GBSA Based Rescoring
Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 1 Year: 2015 Page: 2-13
Author(s): Faraz Shaikh,Soumendranath Bhakat,Abhishek Thakur,Ashish Radadiya,Mahmoud E. S. Soliman,Anamik Shah
Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivativesas Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking,MOLCAD and MM-GBSA Studies
Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 5 Year: 2023 Page: 545-569
Author(s):
In-silico Design, ADMET Screening, MM-GBSA Binding Free Energy of Some Novel Isoxazole Substituted 9-anilinoacridines as HER2 Inhibitors Targeting Breast Cancer
Journal: Current Drug Research Reviews
Volume: 11 Issue: 2 Year: 2019 Page: 118-128
Author(s): Rajagopal Kalirajan,Arumugasamy Pandiselvi,Byran Gowramma,Pandiyan Balachandran
Effect of Polarization of Ligand Charges and Estimation of MM/GBSA Binding Free Energies of Some Pyrazolo[3,4-d]pyrimidine Inhibitors of Mycobacterium Tuberculosis in View of Experimental Results
Journal: Current Enzyme Inhibition
Volume: 13 Issue: 3 Year: 2017 Page: 216-225
Author(s): Bindesh Kumar Shukla,Umesh Yadava
In-silico Design, ADMET Screening, Prime MM-GBSA Binding Free Energy Calculation and MD Simulation of Some Novel Phenothiazines as5HT6R Antagonists Targeting Alzheimerâs Disease
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 0 Year: 2024 Page: 1-16
Author(s):
An In-silico Approach: Design, Homology Modeling, Molecular Docking,MM/GBSA Simulations, and ADMET Screening of Novel 1,3,4-oxadiazolesas PLK1inhibitors
Journal: Current Drug Research Reviews
Volume: 15 Issue: 1 Year: 2023 Page: 88-100
Author(s): Mahendra Gowdru Srinivasa
Development of Anti-HIV Activity Models of Lysine Sulfonamide Analogs: A QSAR Perspective
Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 1 Year: 2012 Page: 70-82
Author(s): Rajagopalan Muthukumaran, Balasubramanian Sangeetha, Ramaswamy Amutha, Premendu P. Mathur