Search Result "MolecularDynamics."
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
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
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
Structure-based Virtual Screening, Molecular Docking, MolecularDynamics Simulation, and Metabolic Reactivity Studies ofQuinazoline Derivatives for their Anti-EGFR Activity AgainstTumor Angiogenesis
Journal: Current Medicinal Chemistry
Volume: 31 Issue: 5 Year: 2024 Page: 595-619
Author(s): Altaf Ahmad Shah,Manoj Kumar Yadav,Mohammad Amjad Kamal
In silico Identification of Potential Small Molecules Targeting Six Proteinsin Nipah Virus using Molecular Docking, Pharmacophore and MolecularDynamics Simulation
Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 5 Year: 2023 Page: 604-618
Author(s):
Current Stage and Future Perspectives for Homology Modeling,Molecular Dynamics Simulations, Machine Learning with MolecularDynamics, and Quantum Computing for Intrinsically Disordered Proteinsand Proteins with Intrinsically Disordered Regions
Journal: Current Protein & Peptide Science
Volume: 25 Issue: 2 Year: 2024 Page: 163-171
Author(s): Vladimir N. Uversky
Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces
Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira,Wagner F. Couto,Vanessa Fontana,Carlton A. Taft,Carlos H.T.P. Da Silva
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
Bifunctional Anti-HIV/TB Inhibitors: Perspective from In-Silico Design and Molecular Dynamics Simulations
Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 8 Year: 2013 Page: 706-712
Author(s): Lauren Blake,Mahmoud E. S. Soliman