Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15 - Wang, Lee-Ping; McKiernan, Keri A; Gomes, Joseph; Beauchamp, Kyle A; Head-Gordon, Teresa; Rice, Julia E; Swope, William C; Martínez, Todd J; Pande, Vijay S (The journal of physical chemistry. B, 2017)
Keywords: computer software; data collection; Databases, Protein; energy; Molecular Dynamics Simulation; physical chemistry; Protein Denaturation; proteins; Proteins - chemistry; Quantum Theory; Software; temperature; Thermodynamics; Water - chemistry