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Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

A. Jr, M. Feig, and C. III. J. Comput. Chem., 25 (11): 1400--1415 (2004)
DOI: 10.1002/jcc.20065

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Charles L Cingolani

Stephen Brooks

Christopher Brooks

Lane Brooks

Elliott Brooks

Other publications of authors with the same name

Application of torsion angle molecular dynamics for efficient sampling of protein conformations.J. Chen, W. Im, and C. III. J. Comput. Chem., 26 (15): 1565-1578 (2005)Deprotonation by Dehydration: The Origin of Ammonium Sensing in the AmtB Channel.D. Bostick, and C. III. PLoS Comput. Biol., (2007)Studying Protein Folding on the Grid: Experiences Using CHARMM on NPACI Resources under Legion.A. Natrajan, A. Fox, M. Humphrey, A. Grimshaw, N. Wilkins-Diehr, M. Crowley, and C. III. HPDC, page 14-21. IEEE Computer Society, (2001)De novo modeling of GPCR class A structures.C. III. IPDPS, page 1. IEEE, (2009)New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.M. Lee, M. Feig, F. Jr., and C. III. J. Comput. Chem., 24 (11): 1348-1356 (2003)Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsA. Jr, M. Feig, and C. III. J. Comput. Chem., 25 (11): 1400--1415 (2004)Efficient in silico exploration of RNA interhelical conformations using Euler angles and WExploreA. Dickson, A. Mustoe, L. Salmon, and C. Brooks III. Nucleic Acids Research, (2014)Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3.P. Gartan, F. Khorsand, P. Mizar, J. Vahokovski, L. Cervantes, B. Haug, R. Brenk, C. III, and N. Reuter. J. Chem. Inf. Model., 64 (3): 621-626 (2024)Dynamic Load Balancing Algorithms for Replicated Data Molecular Dynamics.W. Young, and C. III. J. Comput. Chem., 16 (6): 715-722 (1995)Molecular Simulations On Supercomputers.C. III, W. Young, and D. Tobias. Int. J. High Perform. Comput. Appl., 5 (4): 98-112 (1991)

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Disambiguation of "III, Charles L. Brooks"