Alan E. Mark

54.4k total citations · 10 hit papers
242 papers, 44.1k citations indexed

About

Alan E. Mark is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Materials Chemistry. According to data from OpenAlex, Alan E. Mark has authored 242 papers receiving a total of 44.1k indexed citations (citations by other indexed papers that have themselves been cited), including 187 papers in Molecular Biology, 67 papers in Atomic and Molecular Physics, and Optics and 63 papers in Materials Chemistry. Recurrent topics in Alan E. Mark's work include Protein Structure and Dynamics (115 papers), Spectroscopy and Quantum Chemical Studies (60 papers) and Lipid Membrane Structure and Behavior (53 papers). Alan E. Mark is often cited by papers focused on Protein Structure and Dynamics (115 papers), Spectroscopy and Quantum Chemical Studies (60 papers) and Lipid Membrane Structure and Behavior (53 papers). Alan E. Mark collaborates with scholars based in Australia, Netherlands and Switzerland. Alan E. Mark's co-authors include Wilfred F. van Gunsteren, Herman J. C. Berendsen, Erik Lindahl, Gerrit Groenhof, Berk Hess, David van der Spoel, ‪Siewert J. Marrink, Chris Oostenbrink, Alessandra Villa and Xavier Daura and has published in prestigious journals such as Science, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Alan E. Mark

240 papers receiving 43.5k citations

Hit Papers

GROMACS: Fast, flexible, and free 1994 2026 2004 2015 2005 2004 2011 2003 1999 4.0k 8.0k 12.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. GROMACS: Fast, flexible, and free
    2005 14.8k citations David van der Spoel, Erik Lindahl et al. Journal of Computational Chemistry profile →
  2. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6
    2004 3.1k citations Alessandra Villa, Alan E. Mark et al. Journal of Computational Chemistry profile →
  3. Definition and testing of the GROMOS force-field versions 54A7 and 54B7
    2011 2.0k citations Alan E. Mark, Wilfred F. van Gunsteren et al. profile →
  4. Coarse Grained Model for Semiquantitative Lipid Simulations
    2003 1.8k citations ‪Siewert J. Marrink, Alex H. de Vries et al. The Journal of Physical Chemistry B profile →
  5. Peptide Folding: When Simulation Meets Experiment
    1999 1.7k citations Xavier Daura, Karl Gademann et al. Angewandte Chemie International Edition profile →
  6. An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
    2011 1.5k citations Alpeshkumar K. Malde, Martin Stroet et al. profile →
  7. The GROMOS Biomolecular Simulation Program Package
    1999 1.2k citations Walter R. P. Scott, Philippe H. Hünenberger et al. profile →
  8. Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations
    1994 926 citations Alan E. Mark, Wilfred F. van Gunsteren et al. profile →
  9. Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
    2014 438 citations Martin Stroet, Alpeshkumar K. Malde et al. Journal of Computer-Aided Molecular Design profile →
  10. Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane
    2018 398 citations Martin Stroet, Bertrand Caron et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Alan E. Mark Australia 74 26.8k 8.1k 7.6k 5.6k 4.7k 242 44.1k
Jeffry D. Madura United States 37 24.2k 0.9× 8.3k 1.0× 9.7k 1.3× 4.6k 0.8× 5.5k 1.2× 127 43.4k
Lee G. Pedersen United States 43 29.2k 1.1× 8.7k 1.1× 7.8k 1.0× 5.7k 1.0× 5.2k 1.1× 222 50.5k
Andrew Dalke United States 9 26.7k 1.0× 13.0k 1.6× 5.1k 0.7× 7.5k 1.3× 5.9k 1.3× 13 56.0k
Jeremy C. Smith United States 92 32.0k 1.2× 7.8k 1.0× 5.7k 0.8× 3.9k 0.7× 5.5k 1.2× 848 58.8k
Tom Darden United States 28 33.8k 1.3× 9.7k 1.2× 8.1k 1.1× 5.8k 1.0× 5.5k 1.2× 49 55.7k
Darrin M. York United States 52 20.8k 0.8× 6.2k 0.8× 6.0k 0.8× 4.0k 0.7× 3.1k 0.7× 251 35.4k
Alexander D. MacKerell United States 93 38.9k 1.5× 9.1k 1.1× 10.7k 1.4× 6.0k 1.1× 4.9k 1.0× 473 57.6k
Piotr Cieplak United States 46 26.4k 1.0× 7.3k 0.9× 6.7k 0.9× 4.8k 0.8× 2.5k 0.5× 126 41.0k
David van der Spoel Sweden 57 31.8k 1.2× 12.3k 1.5× 10.4k 1.4× 6.9k 1.2× 7.3k 1.5× 168 61.7k
William Humphrey United States 21 24.5k 0.9× 12.8k 1.6× 5.2k 0.7× 7.5k 1.3× 5.9k 1.3× 39 53.5k

Countries citing papers authored by Alan E. Mark

Since Specialization
Citations

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

Fields of papers citing papers by Alan E. Mark

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Alan E. Mark

This figure shows the co-authorship network connecting the top 25 collaborators of Alan E. Mark. A scholar is included among the top collaborators of Alan E. Mark based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Alan E. Mark. Alan E. Mark is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Stroet, Martin, Bertrand Caron, Marc van Dijk, et al.. (2023). OFraMP: a fragment-based tool to facilitate the parametrization of large molecules. Journal of Computer-Aided Molecular Design. 37(8). 357–371. 11 indexed citations
2.
Guo, Jingjing, James C. S. Ho, Alan E. Mark, et al.. (2019). Response of microbial membranes to butanol: interdigitationvs.disorder. Physical Chemistry Chemical Physics. 21(22). 11903–11915. 21 indexed citations
3.
Zaugg, Julian, Yosephine Gumulya, Mikael Bodén, Alan E. Mark, & Alpeshkumar K. Malde. (2018). Effect of Binding on Enantioselectivity of Epoxide Hydrolase. Journal of Chemical Information and Modeling. 58(3). 630–640. 9 indexed citations
4.
Deplazes, Evelyne, Sónia Troeira Henriques, Glenn F. King, et al.. (2016). Membrane-Binding Properties of Gating-Modifier and Pore Blocking Toxins: Membrane Interaction is not a Prerequisite for Modification of Channel Gating. Biophysical Journal. 110(3). 29a–29a. 1 indexed citations
5.
Hughes, Zak E., Alan E. Mark, & Ricardo L. Mancera. (2012). Molecular Dynamics Simulations of the Interactions of DMSO with DPPC and DOPC Phospholipid Membranes. The Journal of Physical Chemistry B. 116(39). 11911–11923. 66 indexed citations
6.
7.
Piñeiro, Ángel, Xavier Banquy, Silvia Pérez-Casas, et al.. (2007). On the Characterization of Host−Guest Complexes:  Surface Tension, Calorimetry, and Molecular Dynamics of Cyclodextrins with a Non-ionic Surfactant. The Journal of Physical Chemistry B. 111(17). 4383–4392. 102 indexed citations
8.
Leimkuhler, Benedict, Christophe Chipot, Ron Elber, et al.. (2006). New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering). Springer eBooks. 28(2). 228–9. 5 indexed citations
9.
Villa, Alessandra, Alan E. Mark, Gloria A. A. Saracino, et al.. (2006). Conformational Polymorphism of the PrP106−126 Peptide in Different Environments:  A Molecular Dynamics Study. The Journal of Physical Chemistry B. 110(3). 1423–1428. 32 indexed citations
10.
Kampmann, T., et al.. (2006). The Role of Histidine Residues in Low-pH-Mediated Viral Membrane Fusion. Structure. 14(10). 1481–1487. 137 indexed citations
11.
Vries, Alex H. de, S. Yefimov, Alan E. Mark, & ‪Siewert J. Marrink. (2005). Molecular structure of the lecithin ripple phase. Proceedings of the National Academy of Sciences. 102(15). 5392–5396. 144 indexed citations
12.
Mark, Alan E., et al.. (2005). Coarse grained simulation of phase transitions of lipid membranes. Biophysical Journal. 88(1). 2 indexed citations
13.
Spoel, David van der, Erik Lindahl, Berk Hess, et al.. (2005). GROMACS: Fast, flexible, and free. Journal of Computational Chemistry. 26(16). 1701–1718. 14778 indexed citations breakdown →
14.
Zangi, Ronen & Alan E. Mark. (2003). Monolayer Ice. Physical Review Letters. 91(2). 25502–25502. 206 indexed citations
15.
Feenstra, K. Anton, Christine Peter, Ruud M. Scheek, Wilfred F. van Gunsteren, & Alan E. Mark. (2002). A comparison of methods for calculating NMR cross-relaxation rates (NOESY and ROESY intensities) in small peptides. Journal of Biomolecular NMR. 23(3). 181–194. 32 indexed citations
16.
Walser, Regula, Alan E. Mark, & Wilfred F. van Gunsteren. (2000). On the Temperature and Pressure Dependence of a Range of Properties of a Type of Water Model Commonly Used in High-Temperature Protein Unfolding Simulations. Biophysical Journal. 78(6). 2752–2760. 43 indexed citations
17.
Scott, Walter R. P., Philippe H. Hünenberger, Ilario G. Tironi, et al.. (1999). The GROMOS biomolecular simulation program package. Journal of Computational Chemistry. 1 indexed citations
18.
Deuflhard, Peter, Robert D. Skeel, Jan Hermans, et al.. (1999). Computational Molecular Dynamics: Challenges, Methods, Ideas: Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modellin. Springer eBooks. 4 indexed citations
19.
Daura, Xavier, Karl Gademann, Bernhard Jaun, et al.. (1999). Peptide Folding: When Simulation Meets Experiment. Angewandte Chemie International Edition. 38(1-2). 236–240. 1655 indexed citations breakdown →
20.
Wipff, Georges, et al.. (1997). Liquid-liquid ion extraction: Influence of the water content of the organic phase on the ion extraction selectivity. An MD and FEP study of calix[4]crown-6 alkali cation complexes in binary chloroform-water mixtures. Gazzetta chimica italiana. 127(11). 699–708. 17 indexed citations

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.

Explore authors with similar magnitude of impact

Breakdown of academic impact, for papers by Jeffry D. Madura Breakdown of academic impact, for papers by Lee G. Pedersen Breakdown of academic impact, for papers by Andrew Dalke Breakdown of academic impact, for papers by Jeremy C. Smith Breakdown of academic impact, for papers by Tom Darden Breakdown of academic impact, for papers by Darrin M. York Breakdown of academic impact, for papers by Alexander D. MacKerell Breakdown of academic impact, for papers by Piotr Cieplak Breakdown of academic impact, for papers by David van der Spoel Breakdown of academic impact, for papers by William Humphrey
Rankless by CCL
2026