Alexander D. MacKerell
Impact in
- Molecular Biology top 0.01%
- Protein Structure and Dynamics
- Lipid Membrane Structure and Behavior
- DNA and Nucleic Acid Chemistry
- RNA and protein synthesis mechanisms
- Physical and Theoretical Chemistry top 0.05%
Papers in
-
- Protein Structure and Dynamics 164
- DNA and Nucleic Acid Chemistry 90
- RNA and protein synthesis mechanisms 55
- Lipid Membrane Structure and Behavior 30
-
- Spectroscopy and Quantum Chemical Studies 96
- Advanced Chemical Physics Studies 37
- Co-authors
- Kenno Vanommeslaeghe (23 shared papers)Jing Huang (21 shared papers)Michael Feig (6 shared papers)Charles L. Brooks (7 shared papers)Pedro E. M. Lopes (26 shared papers)Olgun Guvench (30 shared papers)Igor Vorobyov (11 shared papers)Nicolas Foloppe (9 shared papers)
- Journals
- Journal of Chemical Theory and Computation (57 papers)The Journal of Physical Chemistry B (52 papers)Biophysical Journal (37 papers)Journal of Computational Chemistry (35 papers)Journal of Chemical Information and Modeling (25 papers)
- Partner nations
- United StatesSwedenChina
In The Last Decade
Alexander D. MacKerell
469 papers receiving 58.3k citations
Alexander D. MacKerell's Hit Papers
Peers
Comparison fields: 5 of 187
- Molecular Biology 38.8k
- Physical and Theoretical Chemistry 3.2k
- Atomic and Molecular Physics, and Optics 10.8k
- Computational Theory and Mathematics 5.4k
- Spectroscopy 5.4k
Countries citing papers authored by Alexander D. MacKerell
This map shows the geographic impact of Alexander D. MacKerell's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Alexander D. MacKerell with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Alexander D. MacKerell more than expected).
Fields of papers citing papers by Alexander D. MacKerell
This network shows the impact of papers produced by Alexander D. MacKerell. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Alexander D. MacKerell. The network helps show where Alexander D. MacKerell may publish in the future.
Co-authors
The 25 scholars most cited alongside Alexander D. MacKerell, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.
All Works
Showing the 20 most-cited of 477 papers — load more, or switch the sort, to bring in the rest.
| # | Work | ||
|---|---|---|---|
| 1 | CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields Hit paper breakdown → | 2009 | 5722 |
| 2 | Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles Hit paper breakdown → | 2012 | 3643 |
| 3 | Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types Hit paper breakdown → | 2010 | 3615 |
| 4 | CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data Hit paper breakdown → | 2013 | 3062 |
| 5 | 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 Hit paper breakdown → | 2004 | 2955 |
| 6 | CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field Hit paper breakdown → | 2015 | 2955 |
| 7 | Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing Hit paper breakdown → | 2012 | 1592 |
| 8 | All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data Hit paper breakdown → | 2000 | 1375 |
| 9 | Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges Hit paper breakdown → | 2012 | 1359 |
| 10 | Empirical force fields for biological macromolecules: Overview and issues Hit paper breakdown → | 2004 | 1003 |
| 11 | Development and current status of the CHARMM force field for nucleic acids Hit paper breakdown → | 2000 | 886 |
| 12 | Improved Treatment of the Protein Backbone in Empirical Force Fields Hit paper breakdown → | 2003 | 838 |
| 13 | Extension of the CHARMM general force field to sulfonyl‐containing compounds and its utility in biomolecular simulations Hit paper breakdown → | 2012 | 732 |
| 14 | An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids Hit paper breakdown → | 2000 | 688 |
| 15 | All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution Hit paper breakdown → | 2000 | 655 |
| 16 | An all-atom empirical energy function for the simulation of nucleic acids Hit paper breakdown → | 1995 | 577 |
| 17 | A simple polarizable model of water based on classical Drude oscillators Hit paper breakdown → | 2003 | 571 |
| 18 | CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses Hit paper breakdown → | 2009 | 565 |
| 19 | A polarizable model of water for molecular dynamics simulations of biomolecules Hit paper breakdown → | 2005 | 555 |
| 20 | CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling Hit paper breakdown → | 2011 | 546 |
About Alexander D. MacKerell
Alexander D. MacKerell is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics, Computational Theory and Mathematics, Materials Chemistry and Organic Chemistry, having authored 477 papers that have together received 58.7k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (164 papers), Spectroscopy and Quantum Chemical Studies (96 papers), DNA and Nucleic Acid Chemistry (90 papers), Computational Drug Discovery Methods (70 papers), RNA and protein synthesis mechanisms (55 papers), Enzyme Structure and Function (50 papers), Advanced Chemical Physics Studies (37 papers) and Lipid Membrane Structure and Behavior (30 papers). The work is most often cited by research in Molecular Biology (38.8k citations), Physical and Theoretical Chemistry (3.2k citations), Atomic and Molecular Physics, and Optics (10.8k citations), Computational Theory and Mathematics (5.4k citations) and Spectroscopy (5.4k citations). Alexander D. MacKerell has collaborated with scholars based in United States, Sweden and China. Frequent co-authors include Kenno Vanommeslaeghe, Jing Huang, Michael Feig, Charles L. Brooks, Pedro E. M. Lopes, Olgun Guvench, Igor Vorobyov, Nicolas Foloppe, Benoı̂t Roux and Richard W. Pastor. Their work appears in journals such as Journal of Chemical Theory and Computation, The Journal of Physical Chemistry B, Biophysical Journal, Journal of Computational Chemistry and Journal of Chemical Information and Modeling.
Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.