Search Result "MD-simulations"
Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design
Journal: Current Medicinal Chemistry
Volume: 23 Issue: 34 Year: 2016 Page: 3909-3924
Author(s): Maricarmen Hernández-RodrÃguez,Martha C. Rosales-Hernández,Jessica E. Mendieta-Wejebe,Marlet MartÃnez-Archundia,José Correa Basurto
Identification of Potential MEK1 Inhibitors by Pharmacophore-based Virtual Screening and MD Simulations
Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 894-907
Author(s): Huanhuan Shi, Lu Zhou, Guangkai Bao, Qianying Yi, Suwen Zhou, Yahui Tian, Xiaoli Li
High-resolution MD Simulation Studies to Get Mechanistic Insights into the Urea-induced Denaturation of Human Sphingosine Kinase 1
Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 31 Year: 2021 Page: 2839-2850
Author(s): Faez Iqbal Khan,Shahid Ali,Wenjing Chen,Farah Anjum,Alaa Shafie,Md. Imtaiyaz Hassan,Dakun Lai
The Application of MD Simulation to Lead Identification, Vaccine Design,and Structural Studies in Combat against Leishmaniasis - A Review
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 24 Issue: 11 Year: 2024 Page: 1089-1111
Author(s): Lukkani Laxman Kumar
Characterization of Atomic Surface Roughness in Nanometric Machining Molecular Dynamics (MD) Simulations
Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 31-39
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen
An Antiparallel ß-Sheet And A ß-Turn Characterize The Structure Of Antiviral Hiv-1 Peptide T140, As Revealed By 2d Nmr And Md Simulations.
Journal: Protein & Peptide Letters
Volume: 10 Issue: 4 Year: 2003 Page: 346-360
Author(s): Savita Tauro, Evans Coutinho, Sudha Srivastava
Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1222-1233
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li
Molecular Dynamics (MD) Simulation of Multi-pass Nanometric Machining â The Effect of Machining Conditions
Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 21-30
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen
Insight into the Binding Mode between HIV-1 Integrase and Pyrimidone Analogue Inhibitors with MD Simulation and 3D-QSAR
Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 420-433
Author(s): Songyao Ma,Wei Ye,Dingjue Ji,Hai-Feng Chen
Molecular Docking, ADMET Analysis and Molecular Dynamics (MD)Simulation to Identify Synthetic Isoquinolines as Potential Inhibitors ofSARS-CoV-2 MPRO
Journal: Current Computer-Aided Drug Design
Volume: 19 Issue: 5 Year: 2023 Page: 391-404
Author(s): Paulo Ricardo dos Santos Correia,Alesson Henrique Donato de Souza,Andres Reyes Chaparro,Aldo Yair Tenorio Barajas,Ricardo Silva Porto