Search Result "docking simulations"


Review Article

Protein-Ligand Docking Simulations with AutoDock4 Focused on the Main Protease of SARS-CoV-2

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 0 Year: 2021 Page: 1-20
Author(s): Walter Filgueira de Azevedo Junior,Gabriela Bitencourt-Ferreira,Joana Retzke Godoy,Hilda Mayela Aran Adriano,Wallyson André dos Santos Bezerra,Alexandra Martins dos Santos Soares

Letter Article

3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-15
Author(s): Xiao-Zhong Chen,Chen Dai,Yan Shen,Juan Wang,Yong Hu,Yuan-Qiang Wang,Zhi-Hua Lin

Research Article

QSAR Modeling, Molecular Docking and Molecular Dynamics Simulations Studies of Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Anticancer Agents

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 8 Year: 2021 Page: 987-1018
Author(s): Rahman Abdizadeh,Esfandiar Heidarian,Farzin Hadizadeh,Tooba Abdizadeh

Research Article

Molecular Docking and Dynamics Simulation of Natural Phenolic Compounds with GSK-3β: A Putative Target to Combat Mortality in Patients with COVID-19

Journal: Recent Advances in Inflammation & Allergy Drug Discovery
Volume: 15 Issue: 1 Year: 2021 Page: 16-34
Author(s): Zahra Khamverdi,Zeinab Mohamadi,Amir Taherkhani

Research Article

Ld/Mm+ Simulation of Some Aristolochic and Humic Acids Species Coupledin Periodic Box with Water

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 708-724
Author(s): Mihai Viorel Putz,Feng Chen Ifrim

Research Article

Pyridine/Pyrimidine Substituted Imidazol-5-one Analogs as HIV-1 RT Inhibitors: Design, Synthesis, Docking and Molecular Dynamic Simulation Studies

Journal: Current HIV Research
Volume: 19 Issue: 6 Year: 2021 Page: 535-547
Author(s): Santosh Mokale,Deepak Lokwani,Abdul Mujaheed

Research Article

Identification of Antimycobacterial Agent Using In Silico Virtual Screening,ADME Prediction, Docking, and Molecular Dynamics SimulationsApproach

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 806-816
Author(s): Swayansiddha Tripathy,Susanta Kumar Sahu,Mohammed Afzal Azam,Srikanth Jupudi,Vivek Kumar Gupta,Shweta Sharma

Research Article

Synthesis, Molecular Docking and Molecular Dynamics Simulation of 2- Thioxothiazolidin-4-One Derivatives against Gp41

Journal: Current HIV Research
Volume: 19 Issue: 1 Year: 2021 Page: 47-60
Author(s): Nahid Tamiz,Tahereh Mostashari-Rad,Aylar Najafipour,Sandra Claes,Dominique Schols,Afshin Fassihi

Commentary

Molecular Docking and Dynamics Simulation Studies of a Dataset of NLRP3 In-flammasome Inhibitors

Journal: Recent Advances in Inflammation & Allergy Drug Discovery
Volume: 15 Issue: 2 Year: 2021 Page: 55-56
Author(s):

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