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Disambiguation of "Mackerell, Alexander D."

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Empirical force fields for biological macromolecules: Overview and issues

. Journal of Computational Chemistry, 25 (13): 1584--1604 (2004)
DOI: 10.1002/jcc.20082

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Alexander D F Lahmann

D Bartels

D Riethmacher

D Bruß

D Breunig

 

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 simulations, , and . Journal of Computational Chemistry, 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 Angles, , , , , , and . Journal of Chemical Theory and Computation, 8 (9): 3257-3273 (2012)PMID: 23341755.Glycogen phosphorylase inhibitor identification targeting the inhibitor binding site using virtual screening and experimental validation, , , , , , , , and . Abstracts of Papers of the American Chemical Society, (August 2010)Meeting Abstract.Empirical force fields for biological macromolecules: Overview and issues. Journal of Computational Chemistry, 25 (13): 1584--1604 (2004)Non-β Lactam Inhibitors of the Serine β-Lactamase blaCTX-M15 in Drug-Resistant Salmonella typhi., , , and . J. Chem. Inf. Model., 63 (21): 6681-6695 (November 2023)Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types, , , , , , , , and . The Journal of Physical Chemistry B, 114 (23): 7830-7843 (2010)PMID: 20496934.All-atom polarizable force field for DNA based on the classical drude oscillator model., and . J. Comput. Chem., 35 (16): 1219-1239 (2014)Insights into substrate recognition and specificity for IgG by Endoglycosidase S2., , , , , and . PLoS Comput. Biol., (2021)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)Additive CHARMM force field for naturally occurring modified ribonucleotides., , , , and . J. Comput. Chem., 37 (10): 896-912 (2016)