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An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors

International Journal of Molecular Sciences, 2015
Xiaoguang Xie
exaly

2005
The following presents two approaches that use combined quantum mechanical/molecular mechanical (QM/MM) methods in order to gain deeper insights into the structure and function of protein-ligand complexes and to understand complex results of protein spectroscopy by extensive computer simulations. In the first part, a combined QM/MM docking approach for
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Research and dynamic simulation of docking locks with contact-impact

Aerospace Science and Technology, 2003
Xinfang Zhang
exaly

A physics-based simulation for AUV underwater docking using the MHDG method and a discretized propeller

Ocean Engineering, 2019
Lihong Wu, Yiping Li, Xisheng Feng
exaly

Fluorescence spectroscopy, molecular docking and molecular dynamic simulation studies of HSA-Aflatoxin B1 and G1 interactions

Journal of Luminescence, 2018
Mohammad Hossein Fatemi
exaly

Evaluation of the effect of the chiral centers of Taxol on binding to β-tubulin: A docking and molecular dynamics simulation study

Computational Biology and Chemistry, 2015
Rahim Ghadari, Mansour Zahedi
exaly

Protein-Ligand Docking Simulations for Drug Discovery