Alexander D. MacKerell

Author

Also Known As

A D MacKerell, A. D. MacKerell, A. D. MacKerell Jr, A. D. MacKerell Jr., A. D. Mackerell, A. MacKerell, A. Mackerell, A.D. Jr. Mackerell, A.D. MacKerell, A.D. MacKerell Jr

765

Publications

98.9K

Citations

107

H-Index

222

Concepts

All Affiliations

University of Maryland, Baltimore University of Maryland, College Park National Institutes of Health

About

Alexander D. MacKerell is an author at University of Maryland, Baltimore specializing in natural sciences, engineering, and biophysics.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Natural Sciences	64	140	45.8K
2	Engineering	63	115	48.5K
3	Medicine	48	109	9.4K
4	Health Sciences	2	2	59
5	Social Sciences	1	1	303

Alexander D. MacKerell

372

Publications

82.9K

Citations

H-Index

Page 1

	Year	Citations
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins Alexander D. MacKerell, Donald Bashford, M. Bellott, The Journal of Physical Chemistry B EngineeringMolecular BiologyComputational ChemistryChemistryNew Protein Parameters	1998	14.4K
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya, Journal of Computational Chemistry	2009	7.2K
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles Robert B. Best, Xiao Zhu, Jihyun Shim, Journal of Chemical Theory and Computation EngineeringProtein AssemblyBiomolecular Structure PredictionMolecular BiologyMolecular Dynamics	2012	4.6K
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites, The Journal of Physical Chemistry B Six Lipid TypesProteinlipid InteractionLipid PreparationSurface AreaEngineering	2010	4.6K
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data Jing Huang, Alexander D. MacKerell Journal of Computational Chemistry	2013	4.2K
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field Jumin Lee, Xi Cheng, Jason Swails, Journal of Chemical Theory and Computation Computational BiophysicsProteinlipid InteractionCharmm-gui Input GeneratorEngineeringPhysics	2015	4.1K
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 Alexander D. MacKerell, Michael Feig, Charles L. Brooks Journal of Computational Chemistry	2004	3.4K
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing Kenno Vanommeslaeghe, Alexander D. MacKerell Journal of Chemical Information and Modeling EngineeringMolecular BiologyComputational ChemistryMolecular DesignMolecular Computing	2012	2.1K
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges Kenno Vanommeslaeghe, E. Prabhu Raman, Alexander D. MacKerell Journal of Chemical Information and Modeling EngineeringMechanical EngineeringComputational ChemistryMolecular DesignForce Field	2012	1.7K
All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data Nicolas Foloppe, Alexander D. MacKerell Journal of Computational Chemistry EngineeringMolecular BiologyEmpirical Force-field CalculationsComputational ChemistryMolecular Dynamics	2000	1.6K

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