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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone $\phi$, $\psi$ and Side-Chain $\chi1$ and $\chi2$ Dihedral Angles

R. Best, X. Zhu, J. Shim, P. Lopes, J. Mittal, M. Feig, and A. MacKerell. Journal of Chemical Theory and Computation, 8 (9): 3257-3273 (2012)PMID: 23341755.
DOI: 10.1021/ct300400x

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Irmgard Feig

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Other publications of authors with the same name

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. Mackerell, M. Feig, and C. Brooks. Journal of Computational Chemistry, 25 (11): 1400--1415 (2004)Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulationsJ. Chocholouscaronová, and M. Feig. Journal of Computational Chemistry, 27 (6): 719--729 (2006)Large scale distributed data repository: design of a molecular dynamics trajectory database.M. Feig, M. Abdullah, S. Johnsson, and B. Pettitt. Future Gener. Comput. Syst., 16 (1): 101-110 (1999)High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources.Y. Zhou, S. Zhao, M. Feig, and G. Wei. J. Comput. Phys., 213 (1): 1-30 (2006)PREFMD: a web server for protein structure refinement via molecular dynamics simulations.L. Heo, and M. Feig. Bioinform., 34 (6): 1063-1065 (2018)Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning.B. Dutagaci, B. Duan, C. Qiu, C. Kaplan, and M. Feig. PLoS Comput. Biol., (March 2023)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)Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone $\phi$, $\psi$ and Side-Chain $\chi1$ and $\chi2$ Dihedral AnglesR. Best, X. Zhu, J. Shim, P. Lopes, J. Mittal, M. Feig, and A. MacKerell. Journal of Chemical Theory and Computation, 8 (9): 3257-3273 (2012)PMID: 23341755.Dynamical quantum correlations of Ising models on an arbitrary lattice and their resilience to decoherenceM. Foss-Feig, K. Hazzard, J. Bollinger, A. Rey, and C. Clark. (Jun 2, 2013)

BibSonomy

Disambiguation of "Feig, Michael"