Intraligand hydrophobic interactions rationalize drug affinities for peptidyl-prolyl cis-trans isomerase protein.

Bizzarri, Marco

Intraligand hydrophobic interactions rationalize drug affinities for peptidyl-prolyl cis-trans isomerase protein. [electronic resource] - The journal of physical chemistry. B May 2011 - 6193-201 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1520-5207

10.1021/jp110585p doi


Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Molecular Dynamics Simulation
Protein Binding
Tacrolimus--analogs & derivatives
Tacrolimus Binding Protein 1A--chemistry