Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation

By Fukunishi Yoshifumi   Nakamura Haruki  

Pharmaceuticals, Vol. 5, Iss. 10, 2012-09 ,pp. : 1064-1079

MDPI

Access to resources Recommend Favorite

Identifying binding hot spots on protein surfaces by mixed‐solvent molecular dynamics: HIV‐1 protease as a test case

By  

BIOPOLYMERS, Vol. 105, Iss. 1, 2016-01 ,pp. : 21-34

John Wiley & Sons Inc

Access to resources Recommend Favorite

Mechanical stability analysis of the protein L immunoglobulin‐binding domain by full alanine screening using molecular dynamics simulations

By  

BIOTECHNOLOGY JOURNAL (ELECTRONIC), Vol. 10, Iss. 3, 2015-03 ,pp. : 386-394

John Wiley & Sons Inc

Access to resources Recommend Favorite

Poly(A)+ mRNA‐binding protein Tudor‐SN regulates stress granules aggregation dynamics

By  

FEBS JOURNAL (ELECTRONIC), Vol. 282, Iss. 5, 2015-03 ,pp. : 874-890

John Wiley & Sons Inc

Access to resources Recommend Favorite

Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation

By  

CHEMICAL BIOLOGY & DRUG DESIGN (ELECTRONIC), Vol. 86, Iss. 1, 2015-07 ,pp. : 871-881

John Wiley & Sons Inc

Access to resources Recommend Favorite