Search Result "Schrodinger suite"
Enalos Suite of Tools: Enhancing Cheminformatics and Nanoinfor - matics through KNIME
Journal: Current Medicinal Chemistry
Volume: 27 Issue: 38 Year: 2020 Page: 6523-6535
Author(s): Antreas Afantitis,Andreas Tsoumanis,Georgia Melagraki
Docking and Molecular Dynamics Simulations of Peroxisome Proliferator Activated Receptors Interacting with Pan Agonist Sodelglitazar
Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 1021-1027
Author(s): Xu-Yuan Liu, Run-Ling Wang, Wei-Ren Xu, Li-Da Tang, Shu-Qing Wang, Kuo-Chen Chou
Pyrazole Substituted 9-Anilinoacridines as HER2 Inhibitors TargetingBreast Cancer - An in-silico approach
Journal: Current Drug Research Reviews
Volume: 14 Issue: 1 Year: 2022 Page: 61-72
Author(s): Kalirajan Rajagopal,Vulsi Bodhya Sri,Gowramma Byran,Swaminathan Gomathi
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
Activity of Some Novel Chalcone Substituted 9-anilinoacridines against Coronavirus (COVID-19): A Computational Approach
Journal: Coronaviruses
Volume: 1 Issue: 1 Year: 2020 Page: 13-22
Author(s): Rajagopal Kalirajan
In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 2 Year: 2021 Page: 173-186
Author(s): Suganya Ramakrishnamurthy,Ganesan Singaravelu,Velmurugan Devadasan,Aruna Prakasarao
Identification of Antimycobacterial Agent Using In Silico Virtual Screening,ADME Prediction, Docking, and Molecular Dynamics SimulationsApproach
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 806-816
Author(s): Swayansiddha Tripathy,Susanta Kumar Sahu,Mohammed Afzal Azam,Srikanth Jupudi,Vivek Kumar Gupta,Shweta Sharma
Identification of Novel Antagonists for Rab38 Protein by Homology Modeling and Virtual Screening
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 875-892
Author(s): Aboubakr Haredi Abdelmonsef,Ramasree Dulapalli,Thirupathi Dasari,Lavanya Souda Padmarao,Thirupathi Mukkera,Uma Vuruputuri
Modeling and Simulation Studies of Human β3 Adrenergic Receptor and its Interactions with Agonists
Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 4 Year: 2012 Page: 283-295
Author(s): Shakti Sahi,Parul Tewatia,Balwant K. Malik
QSAR and Pharmacophore Modeling of Natural and Synthetic Antimalarial Prodiginines
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 350-359
Author(s): Baljinder Singh,Ram A. Vishwakarma,Sandip B. Bharate