Search Result "moleculardynamics simulation (MDS)"
Functional Dynamics of Proteins Elucidated by Statistical Analysis of Simulation Data
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 443-451
Author(s): Burak Alakent,Zeynep Kurkcuoglu,Pemra Doruker
Recent Advances in ProteinâLigand Interactions: Molecular Dynamics Simulations and Binding Free Energy
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha
Extracting Atomic Contributions to Binding Free Energy Using MolecularDynamics Simulations with Mixed Solvents (MDmix)
Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 2 Year: 2022 Page: 62-68
Author(s): Peter Schmidtke,Elena Cubero,Xavier Barril
Fluoropropanoic Acid Compound Revealed as Novel Macrophage MigrationInhibitory Factor (MIF) Inhibitor through Virtual Screening and MolecularDynamics (MD) Simulation
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 2 Year: 2024 Page: 236-253
Author(s): Rafeed Rahman Turjya,Md. Abdullah-Al-Kamran Khan,Abul Bashar Mir Md. Khademul Islam
Molecular Mechanism of Tau Misfolding and Aggregation: Insightsfrom Molecular Dynamics Simulation
Journal: Current Medicinal Chemistry
Volume: 31 Issue: 20 Year: 2024 Page: 2855-2871
Author(s):
Molecular Dynamics Simulations of Adenosine Receptors: Advances, Applications and Trends
Journal: Current Pharmaceutical Design
Volume: 25 Issue: 7 Year: 2019 Page: 783-816
Author(s): Nizar A. Al-Shar'i,Qosay A. Al-Balas
Drug Design Benefits from Molecular Dynamics: Some Examples
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 532-546
Author(s): Ji-Long Zhang,Qing-Chuan Zheng,Wen-Ting Chu,Hong-Xing Zhang
Structural and Functional Analyses of SARS COV-2 RNA-dependent RNAPolymerase Protein and Complementary vs. Synthetic Drugs againstCOVID-19 and the Exploration of Binding Sites for Docking, MolecularDynamics Simulation, and Density Functional Theory Studies
Journal: Current Bioinformatics
Volume: 17 Issue: 7 Year: 2022 Page: 632-656
Author(s): Truong Tan Trung,Muhammad Qaiser Fatmi,Tassadaq Hussain Jafar
Transport Properties of Membranes for Fuel Cells from Molecular Dynamics Simulations
Ebook: Advanced Materials for Membrane Preparation
Volume: 1 Year: 2012
Author(s): Seung Soon Jang,William A. Goddard
Doi: 10.2174/978160805308711201010128
The Power of Molecular Dynamics Simulations and Their Applications toDiscover Cysteine Protease Inhibitors
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 24 Issue: 11 Year: 2024 Page: 1125-1146
Author(s): Igor José dos Santos Nascimento,Yvnni Maria Sales de Medeiros e Silva,Euzébio Guimarães Barbosa,Ricardo Olimpio de Moura