Search Result "docking study and moleculardynamic simulation."
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
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
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
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):
Phytochemical Study: Molecular Docking of Eugenol Derivatives as Antioxidantand Antimicrobial Agents
Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 774-783
Author(s): Jamal Jamal Eddine
Anticancer Activity of Medicinal Plants Extract and Molecular Docking Studies
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010007
The Effect of Metformin on Bad, Bak, and Bim Pro-apoptotic Factors: AMolecular Dynamic Simulation Study
Journal: Current Cancer Therapy Reviews
Volume: 19 Issue: 1 Year: 2023 Page: 74-81
Author(s):
Molecular Docking of 4-ethoxychalcones on Oxidoreductase/Pirin Inhibitors and Cytotoxic Evaluation on Breast/Skin Cancer Cell Lines
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 10 Year: 2020 Page: 1245-1260
Author(s): Kishori Ramachandra Harshitha,Balladka Kunhanna Sarojini,Badiadka Narayana,Anupam Glorious Lobo,Bhuvanesh Sukhlal Kalal
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