Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis.

Mon, 01 Jan 2018 00:00:00 +0100

Yandong Huang, Robert C. Harris, Jana Shen :
Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis. J. Chem. Inf. Model. 58(7): 1372-1383 (2018)