In Silico Affinity Profiling of Neuroactive Polyphenols for Post-Traumatic Calpain Inactivation: A Molecular Docking and Atomistic Simulation Sensitivity Analysis

Author： Kumar Pradeep   Choonara Yahya E.   Pillay Viness  

Publisher： MDPI

E-ISSN： 1420-3049|20|1|135-168

ISSN： 1420-3049

Source： Molecules, Vol.20, Iss.1, 2014-12, pp. : 135-168

Access to resources Favorite

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

In Silico Prediction of Estrogen Receptor Subtype Binding Affinity and Selectivity Using Statistical Methods and Molecular Docking with 2-Arylnaphthalenes and 2-Arylquinolines

By Wang Zhizhong   Li Yan   Ai Chunzhi   Wang Yonghua  

International Journal of Molecular Sciences, Vol. 11, Iss. 9, 2010-09 ,pp. : 3434-3458

MDPI

Access to resources Recommend Favorite

Polyphenols from Erythrina crista-galli: Structures, Molecular Docking and Phytoestrogenic Activity

By Ashmawy Naglaa S.   Ashour Mohamed L.   Wink Michael   El-Shazly Mohamed   Chang Fang-Rong   Swilam Noha   Abdel-Naim Ashraf B.   Ayoub Nahla  

Molecules, Vol. 21, Iss. 6, 2016-06 ,pp. : 726-726

MDPI

Access to resources Recommend Favorite

In Silico Docking, Molecular Dynamics and Binding Energy Insights into the Bolinaquinone-Clathrin Terminal Domain Binding Site

By Abdel-Hamid Mohammed K.   McCluskey Adam  

Molecules, Vol. 19, Iss. 5, 2014-05 ,pp. : 6609-6622

MDPI

Access to resources Recommend Favorite

In Silico Exploration of 1,7-Diazacarbazole Analogs as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and Molecular Dynamics Simulations

By Gao Xiaodong   Han Liping   Ren Yujie  

Molecules, Vol. 21, Iss. 5, 2016-05 ,pp. : 591-591

MDPI

Access to resources Recommend Favorite

In Silico Analysis of Correlations between Protein Disorder and Post-Translational Modifications in Algae

By Kurotani Atsushi   Sakurai Tetsuya  

International Journal of Molecular Sciences, Vol. 16, Iss. 8, 2015-08 ,pp. : 19812-19835

MDPI

Access to resources Recommend Favorite