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Disambiguation of "MacKerell, A. D."

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Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

, , and . Journal of Chemical Information and Modeling, 52 (12): 3155--3168 (2012)

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D A Nowak

Tolga A d rl o lu

D Böttger

D Zeppenfeld

D Zumkeller

 

Other publications of authors with the same name

Additive and classical drude polarizable force fields for linear and cyclic ethers, , , , , , and . Journal of Chemical Theory and Computation, 3 (3): 1120-1133 (2007)CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields, , , , , , , , , and 1 other author(s). Journal of Computational Chemistry, 31 (4): 671--690 (2010)Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds, , and . Journal of Computational Chemistry, 23 (2): 199-213 (2002)Proton and hydride transfers in solution: Hybrid QM/MM free energy perturbation study, , and . JOURNAL OF PHYSICAL CHEMISTRY, 100 (11): 4466--4475 (1996)Lipid bilayers: Structural and dynamical properties with an improved force field fit to ab initio quantum mechanics, , , , and . Biophys. J., (January 2005)Automation of the CHARMM general force field (CGenFF) I: Bond perception and atom typing, and . Journal of Chemical Information and Modeling, 52 (12): 3144--3154 (2012)All-atom empirical potential for molecular modeling and dynamics studies of proteins, , , , , , , , , and 19 other author(s). Journal of Physical Chemistry B, 102 (18): 3586-3616 (1998)Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges, , and . Journal of Chemical Information and Modeling, 52 (12): 3155--3168 (2012)CHARMM: The biomolecular simulation program, , , , , , , , , and 25 other author(s). Journal of Computational Chemistry, 30 (10): 1545--1614 (2009)Improved Treatment of the Protein Backbone in Empirical Force Fields, , and . J. Am. Chem. Soc., 126 (3): 698--699 (January 2004)