Results 301 to 307 of about 6,028,998 (307)

Inhibitory effect of astaxanthin on pancreatic lipase with inhibition kinetics integrating molecular docking simulation

Journal of Functional Foods, 2018
Z Jiang, Feng Chen
exaly  

Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors

SAR and QSAR in Environmental Research, 2013
Sajjad Gharaghani, T Khayamian
exaly  

Pharmacophore Modelling and Molecular Docking Simulation Tutorial

2018
openaire   +1 more source

Cloud and HPC platforms for molecular docking and simulation

Digonto Biswas, Sudip Chakrabarty, Sudeshna Roy, Pramity Majumder, Tana Ballove, Avinash Londhe, Vishnu Swarup, Mahesh Narayan, Suryaprakash Tripathy, Manoj Kumar Jana   +9 more
openaire   +1 more source

The Potential Mechanisms of Catechins in Tea for Anti-Hypertension: An Integration of Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

Foods
Yunfei Hu, Yutao Shi, Jinke Lin
exaly  

Virtual screening, molecular docking, MD simulation studies, DFT calculations, ADMET, and drug likeness of Diaza-adamantane as potential MAPKERK inhibitors

Frontiers in Pharmacology
Davood Gheidari, Morteza Mehrdad
exaly  

Taste properties and mechanism of umami peptides from fermented goose bones based on molecular docking and molecular dynamics simulation using umami receptor T1R1/T1R3

Food Chemistry
Bao Zhang, Kezhou Cai, Baocai Xu
exaly