Search Result "moleculardynamic simulation."
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
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
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
Atomistic Simulations of Ultrashort Pulsed Laser Ablation of Polycrystalline Diamond
Journal: Current Nanoscience
Volume: 9 Issue: 6 Year: 2013 Page: 804-811
Author(s): Z. Q. Li,J. Wang,T. Sun
Computer Simulations of Biomolecules in Non-Aqueous and Semi-Aqueous Solvent Conditions
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Danilo Roccatano
Doi: 10.2174/9781608054879113010012
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
The Fundamentals of Molecular Simulations
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: 10.2174/9781681084237117010006
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
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
Critical Role of Computer Simulations in Drug Discovery and Development
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 21 Year: 2017 Page: 2422-2432
Author(s): Prachi Srivastava,Anshul Tiwari