Augmenting the anisotropic network model with torsional potentials improves PATH performance, enabling detailed comparison with experimental rate data

by Srinivas Niranj Chandrasekaran, Charles W. Carter Jr.
Published 2017-05-01

A modified PATH algorithm rapidly generates transition states comparable to those found by other well established algorithms

by Srinivas Niranj Chandrasekaran, Jhuma Das, Nikolay V. Dokholyan, Charles W. Carter Jr.
Published 2016-01-01

Combining multi-mutant and modular thermodynamic cycles to measure energetic coupling networks in enzyme catalysis

by Charles W. Carter Jr., Srinivas Niranj Chandrasekaran, Violetta Weinreb, Li Li, Tishan Williams
Published 2017-05-01