Search Result "molecular dynamicssimulations. density functional theory."
Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010009
Combined Virtual Screening, DFT Calculations and Molecular Dynamics Simulations to Discovery of Potent MMP-9 Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 8 Year: 2019 Page: 892-903
Author(s): Hamed Bahrami,Hafezeh Salehabadi,Zahra Nazari,Massoud Amanlou
Mechanism of A pH-induced Peptide Inserting into a POPC Bilayer: A Molecular Dynamic Study
Journal: Current Pharmaceutical Biotechnology
Volume: 15 Issue: 9 Year: 2014 Page: 814-822
Author(s): Chui-Peng Kong,Ying-Lu Cui,Ji-Long Zhang,Qing-Chuan Zheng,Hong-Xing Zhang
Computational Approaches in Evaluating the 5-HT Subtype Receptor Mechanism of Action for Developing Novel Chemical Entities
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070003
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Molecular Modelling Approaches to Antibacterial Drug Design and Discovery
Ebook: Frontiers in Anti-Infective Drug Discovery
Volume: 7 Year: 2018
Author(s): Agnieszka A. Kaczor,Prasanthi Medarametla,Damian Bartuzi,Magdalena Kondej,Dariusz Matosiuk,Antti Poso
Doi: 10.2174/9781681085623118070006
Molecular Dynamics Applied to Discover Antiviral Agents
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Igor José dos Santos Nascimento
Doi: 10.2174/9789815036848122060005
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
Free Energy Estimation for Drug Discovery: Background and Perspectives
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010011
Water Above its Boiling Point
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010010