Search Result "MM-GB/SA"


Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2601-2611
Author(s): S. Durdagi, C. Zhao, J. E. Cuervo, S. Y. Noskov

Research Article

Docking and 3D QSAR Studies on Substituted Cyclobutylphenyl Quinoline Derivatives as Inhibitors of Bacterial DNA Gyrase

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 4 Year: 2018 Page: 322-337
Author(s): Rucha R. Wani,Hemchandra K. Chaudhari

Research Article

In-silico Design and ADMET Studies of Natural Compounds as Inhibitors of Xanthine Oxidase (XO) Enzyme

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 577-593
Author(s): Neelam Malik,Priyanka Dhiman,Anurag Khatkar

Research Article

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

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

Modeling of HIV-1 TAR RNA-Ligand Complexes

Journal: Medicinal Chemistry
Volume: 7 Issue: 4 Year: 2011 Page: 301-308
Author(s): Petar M. Mitrasinovic, Jyoti S. Tomar, Maya S. Nair, Ritu Barthwal

Risk of Bleeding Related to Antithrombotic Treatment in Cardiovascular Disease

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 33 Year: 2012 Page: 5362-5378
Author(s): Rikke Sorensen,Jonas B. Olesen,Mette Charlot,Gunnar H. Gislason

Research Article

Aryl-isoquinoline as a Potential Scaffold for Novel Antitumor Agentsagainst Glioblastoma Cells

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 5 Year: 2024 Page: 948-960
Author(s): Thais Batista Fernandes,Glaucio Monteiro Ferreira,Priscila Oliveira de Souza,Vitor Galvão Lopes,Mônica Franco Zannini Junqueira Toledo,Gabriela Nogueira Debom,Sandra Valeria Vassiliades,Neuza Mariko Aymoto Hassimotto,Mario Hiroyuki Hirata

Overview of Binding Free Energy Calculation Techniques for Elucidation of Biological Processes and for Drug Discovery

Journal: Medicinal Chemistry
Volume: 11 Issue: 3 Year: 2015 Page: 248-253
Author(s): Takeshi Ashida, Takeshi Kikuchi

Structure-Based Virtual Screening

Ebook: In Silico Lead Discovery
Volume: 1 Year: 2011
Author(s): Olivier Sperandio,Bruno O. Villoutreix,Maria A. Miteva
Doi: 10.2174/978160805142711101010020

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