Malcolm E. Davis

4.2k citations

39 papers · 3.5k indexed · 2 hit papers · h-index 27

Impact in

Physical and Theoretical Chemistry top 1%
Molecular Biology top 2%
- Protein Structure and Dynamics
- DNA and Nucleic Acid Chemistry
- RNA and protein synthesis mechanisms
- Lipid Membrane Structure and Behavior

Papers in ⓘ

Molecular Biology 22
- Protein Structure and Dynamics 12
- DNA and Nucleic Acid Chemistry 7
- Lipid Membrane Structure and Behavior 5
Atomic and Molecular Physics, and Optics 17
- Spectroscopy and Quantum Chemical Studies 13
- Advanced Chemical Physics Studies 2

Co-authors: J. Andrew McCammon (18 shared papers)Brock A. Luty (12 shared papers)Jeffry D. Madura (6 shared papers)Michael K. Gilson (2 shared papers)Rebecca C. Wade (4 shared papers)James M. Briggs (3 shared papers)L. Ridgway Scott (1 shared paper)Babak Bagheri (1 shared paper)
Journals: Journal of Computational Chemistry (6 papers)The Journal of Physical Chemistry (3 papers)Computer Physics Communications (2 papers)Chemical Reviews (2 papers)Journal of Molecular Biology (2 papers)
Partner nations: United States Germany Switzerland

In The Last Decade

Malcolm E. Davis

37 papers receiving 3.4k citations

Hit Papers

align trajectories log scale

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program 1995 · 711 citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

1995 Computer Physics Communications
1990 Chemical Reviews

Peers

Countries citing papers authored by Malcolm E. Davis

Since Specialization

Citations

This map shows the geographic impact of Malcolm E. Davis'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 Malcolm E. Davis with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Malcolm E. Davis more than expected).

Fields of papers citing papers by Malcolm E. Davis

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Malcolm E. Davis. 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 Malcolm E. Davis. The network helps show where Malcolm E. Davis may publish in the future.

Co-authors

The 25 scholars most cited alongside Malcolm E. Davis, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Malcolm E. Davis Line = papers co-authored together Malcolm E. Davis links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

Showing the 20 most-cited of 39 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program Computer Physics Communications ·Jeffry D. Madura, James M. Briggs, Rebecca C. Wade, Malcolm E. Davis, Brock A. Luty, Andrew Ilin, Jan Antosiewicz, Michael K. Gilson, Babak Bagheri, L. Ridgway Scott, J. Andrew McCammon Hit paper breakdown →	1995	711
2	Electrostatics in biomolecular structure and dynamics Chemical Reviews ·Malcolm E. Davis, J. Andrew McCammon Hit paper breakdown →	1990	556
3	Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program Computer Physics Communications ·Malcolm E. Davis, Jeffry D. Madura, Brock A. Luty, J. Andrew McCammon	1991	397
4	Computation of electrostatic forces on solvated molecules using the Poisson-Boltzmann equation The Journal of Physical Chemistry ·Michael K. Gilson, Malcolm E. Davis, Brock A. Luty, J. Andrew McCammon	1993	267
5	A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems Molecular Simulation ·Brock A. Luty, Malcolm E. Davis, Ilario G. Tironi, Wilfred F. van Gunsteren	1994	180
6	Solving the finite difference linearized Poisson‐Boltzmann equation: A comparison of relaxation and conjugate gradient methods Journal of Computational Chemistry ·Malcolm E. Davis, J. Andrew McCammon	1989	169
7	Continuum model calculations of solvation free energies: accurate evaluation of electrostatic contributions The Journal of Physical Chemistry ·V. Mohan, Malcolm E. Davis, J. Andrew McCammon, B. Montgomery Pettitt	1992	112
8	Dielectric boundary smoothing in finite difference solutions of the poisson equation: An approach to improve accuracy and convergence Journal of Computational Chemistry ·Malcolm E. Davis, J. Andrew McCammon	1991	106
9	Solving the finite‐difference non‐linear Poisson–Boltzmann equation Journal of Computational Chemistry ·Brock A. Luty, Malcolm E. Davis, J. Andrew McCammon	1992	92
10	Calculating electrostatic forces from grid‐calculated potentials Journal of Computational Chemistry ·Malcolm E. Davis, J. Andrew McCammon	1990	75
11	Empirical free energy calculations: a blind test and further improvements to the method Journal of Molecular Biology ·Jiří Novotný, Robert E. Bruccoleri, Malcolm E. Davis, Kim A. Sharp	1997	71
12	Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme Biophysical Journal ·Rebecca C. Wade, Malcolm E. Davis, Brock A. Luty, Jeffry D. Madura, J. Andrew McCammon	1993	69
13	Poisson-Boltzmann analysis of the lambda repressor-operator interaction Biophysical Journal ·Martin Zacharias, Brock A. Luty, Malcolm E. Davis, J. Andrew McCammon	1992	64
14	Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing Journal of Computational Chemistry ·Robert E. Bruccoleri, Jiří Novotný, Malcolm E. Davis, Kim A. Sharp	1997	63
15	Simulation of enzyme–substrate encounter with gated active sites Nature Structural & Molecular Biology ·Rebecca C. Wade, Brock A. Luty, Eugene Demchuk, Jeffry D. Madura, Malcolm E. Davis, James M. Briggs, J. Andrew McCammon	1994	62
16	Solid-phase synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors Bioorganic & Medicinal Chemistry Letters ·James Sutton, Scott A. Bolton, Malcolm E. Davis, Karen S. Hartl, Bruce L. Jacobson, Arvind Mathur, Martin L. Ogletree, William A. Slusarchyk, Robert Zahler, Steven M. Seiler, Gregory S. Bisacchi	2004	56
17	[22] Diffusion-controlled enzymatic reactions Methods in enzymology on CD-ROM/Methods in enzymology ·Malcolm E. Davis, Jeffry D. Madura, Jacqueline J. Sines, Brock A. Luty, Stuart A. Allison, J. Andrew McCammon	1991	54
18	Electrostatic energy calculations by a Finite‐difference method: Rapid calculation of charge–solvent interaction energies Journal of Computational Chemistry ·Brock A. Luty, Malcolm E. Davis, J. Andrew McCammon	1992	46
19	Combined Conformational Search and Finite-Difference Poisson?Boltzmann Approach for Flexible Docking Journal of Molecular Biology ·Martin Zacharias, Brock A. Luty, Malcolm E. Davis, J. Andrew McCammon	1994	45
20	Protein−Ligand NOE Matching: A High-Throughput Method for Binding Pose Evaluation That Does Not Require Protein NMR Resonance Assignments Journal of the American Chemical Society ·Keith L. Constantine, Malcolm E. Davis, William J. Metzler, Luciano Mueller, Brian L. Claus	2006	34

About Malcolm E. Davis

Malcolm E. Davis is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics, Spectroscopy, Organic Chemistry and Physical and Theoretical Chemistry, having authored 39 papers that have together received 3.5k indexed citations. Recurring topics across this work include Spectroscopy and Quantum Chemical Studies (13 papers), Protein Structure and Dynamics (12 papers), DNA and Nucleic Acid Chemistry (7 papers), Lipid Membrane Structure and Behavior (5 papers), Electrostatics and Colloid Interactions (2 papers), Monoclonal and Polyclonal Antibodies Research (2 papers), Computational Drug Discovery Methods (2 papers) and Advanced Chemical Physics Studies (2 papers). The work is most often cited by research in Physical and Theoretical Chemistry (400 citations), Molecular Biology (2.5k citations), Atomic and Molecular Physics, and Optics (1.1k citations), Computational Theory and Mathematics (360 citations) and Spectroscopy (322 citations). Malcolm E. Davis has collaborated with scholars based in United States, Germany and Switzerland. Frequent co-authors include J. Andrew McCammon, Brock A. Luty, Jeffry D. Madura, Michael K. Gilson, Rebecca C. Wade, James M. Briggs, L. Ridgway Scott, Babak Bagheri, Andrew Ilin and Jan Antosiewicz. Their work appears in journals such as Journal of Computational Chemistry, The Journal of Physical Chemistry, Computer Physics Communications, Chemical Reviews and Journal of Molecular Biology.

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.

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