Search Result "Moleculardynamics simulation studies"


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

Research Article

Virtual Screening of Native Variants of Focal Adhesion Kinase - A QSAR,Molecular Docking, and Dynamic Simulation Study

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 2 Year: 2024 Page: 254-269
Author(s): Suchitra Krishna Prasad

General Research Article

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

Recent Advances in Protein−Ligand 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

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

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

Research Article

Structure Prediction of SPAK C-terminal Domain and Analysis of its Binding to RFXV/I Motifs by Homology Modelling, Docking and Molecular Dynamics Simulation Studies

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 5 Year: 2021 Page: 666-675
Author(s): Mubarak A. Alamri,Ahmed D. Alafnan,Obaid Afzal,Alhumaidi B. Alabbas,Safar M. Alqahtani

Research Article

Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 24 Year: 2020 Page: 2146-2167
Author(s): Anuraj Nayarisseri,Ravina Khandelwal,Maddala Madhavi,Chandrabose Selvaraj,Umesh Panwar,Khushboo Sharma,Tajamul Hussain,Sanjeev Kumar Singh

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