Search Result "Rescoring"
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
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
Ligand-Based Drug Design of Novel MARK-3 Inhibitors in Cancer
Journal: Current Bioactive Compounds
Volume: 10 Issue: 2 Year: 2014 Page: 112-123
Author(s): Jonathan R. de Almeida,Josiana G. de Araujo Volpini,Joao G.C. Poiani,Carlton A. Taft,Carlos H.T. de Paula da Silva
Molecular Docking, Drug-Likeness and ADMET Analysis, Application ofDensity Functional Theory (DFT) and Molecular Dynamics (MD) Simulationto the Phytochemicals from Withania Somnifera as Potential Antagonistsof Estrogen Receptor Alpha (ER- α)
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 797-805
Author(s): Alamgir Hossain
In Silico Study of Flavonoids as DPP-4 and α-glucosidase Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 6 Year: 2018 Page: 634-642
Author(s): Jasmin Kaur,Ramit Singla,Vikas Jaitak
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
Structure-based Virtual Screening of Natural Compounds as Potential Anti-Allergy Agents Against Cytokine Alarmins (TSLP and IL-33)
Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 9 Year: 2021 Page: 932-942
Author(s): Rahma Muhammad Adamu,Rita Singh Majumdhar,Abdullahi Ibrahim Uba
In Silico Discovery of Novel Flavonoids as Poly ADP Ribose Polymerase (PARP) Inhibitors
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 344-350
Author(s): Ashish Shah,Ghanshyam Parmar,Avinash Kumar Seth
Computational Study Reveals PARP1 and P2Y1 Receptors as ProspectiveTargets of Withaferin-A for Cardiovascular Diseases
Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 4 Year: 2022 Page: 323-336
Author(s): Praveen Kumar Posa Krishnamoorthy,Sakthi Abirami Gowthaman
Integrated In Silico-In Vitro Discovery of Lung Cancer-related Tumor Pyruvate Kinase M2 (PKM2) Inhibitors
Journal: Medicinal Chemistry
Volume: 12 Issue: 7 Year: 2016 Page: 613-620
Author(s): Xiangyun Ye, Yinjia Sun, Yunhua Xu, Zhiwei Chen, Shun Lu