Estimation of the Binding Free Energy of AC1NX476 to HIV‐1 Protease Wild Type and Mutations Using Free Energy Perturbation Method

By  

CHEMICAL BIOLOGY & DRUG DESIGN (ELECTRONIC), Vol. 86, Iss. 4, 2015-10 ,pp. : 546-558

John Wiley & Sons Inc

Access to resources Recommend Favorite

Computational Studies of a Mechanism for Binding and Drug Resistance in the Wild Type and Four Mutations of HIV-1 Protease with a GRL-0519 Inhibitor

By Hu Guodong   Ma Aijing   Dou Xianghua   Zhao Liling   Wang Jihua  

International Journal of Molecular Sciences, Vol. 17, Iss. 6, 2016-05 ,pp. : 819-819

MDPI

Access to resources Recommend Favorite

Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules

By Fukunishi Yoshifumi   Nakamura Haruki  

Pharmaceuticals, Vol. 6, Iss. 5, 2013-04 ,pp. : 604-622

MDPI

Access to resources Recommend Favorite

Binding free energy calculations between bovine β‐lactoglobulin and four fatty acids using the MMGBSA method

By  

BIOPOLYMERS, Vol. 101, Iss. 10, 2014-10 ,pp. : 1010-1018

John Wiley & Sons Inc

Access to resources Recommend Favorite

Molecular Dynamics Simulation of Tryptophan Hydroxylase-1: Binding Modes and Free Energy Analysis to Phenylalanine Derivative Inhibitors

By Zhong Hao   Huang Wei   He Gu   Peng Cheng   Wu Fengbo   Ouyang Liang  

International Journal of Molecular Sciences, Vol. 14, Iss. 5, 2013-05 ,pp. : 9947-9962

MDPI

Access to resources Recommend Favorite