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AM

Alan E. Mark

Dalhousie University CA

ORCID iD 0000-0001-5880-4798
317
Publications
54,700
Citations
82
H-Index
213
i10-Index
2.8
2yr Mean Cite
-
Cite/Paper
Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar
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Publication & Citation Trends

Most Cited Works

GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark +1 more
Journal of Computational Chemistry 2005
18,714
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6
Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren
Journal of Computational Chemistry 2004
3,712
Definition and testing of the GROMOS force-field versions 54A7 and 54B7 OA
Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko, Sereina Riniker, Moritz Winger +2 more
European Biophysics Journal 2011
2,505
Coarse Grained Model for Semiquantitative Lipid Simulations OA
‪Siewert J. Marrink, Alex H. de Vries, Alan E. Mark
The Journal of Physical Chemistry B 2003
2,274
Peptide Folding: When Simulation Meets Experiment
Xavier Daura, Karl Gademann, Bernhard Jaun, Dieter Seebàch, Wilfred F. van Gunsteren +1 more
Angewandte Chemie International Edition 1999
1,960

Publications

317 total

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane PDF

Martin Stroet, Bertrand Caron, Koen M. Visscher, Daan P. Geerke, Alpeshkumar K. Malde et al. - Journal of Chemical Theory and Computation, 2018
Cited by 517 OpenAlex

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark - Journal of Computer-Aided Molecular Design, 2014
Cited by 510 OpenAlex

Definition and testing of the GROMOS force-field versions 54A7 and 54B7 PDF

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko, Sereina Riniker, Moritz Winger et al. - European Biophysics Journal, 2011
Cited by 2,505 OpenAlex

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

Alpeshkumar K. Malde, L. Zuo, Matthew Breeze, Martin Stroet, David Poger et al. - Journal of Chemical Theory and Computation, 2011
Cited by 1,849 OpenAlex

Toroidal pores formed by antimicrobial peptides show significant disorder PDF

Durba Sengupta, Hari Leontiadou, Alan E. Mark, ‪Siewert J. Marrink - Biochimica et Biophysica Acta (BBA) - Biomembranes, 2008
Cited by 560 OpenAlex

Antimicrobial Peptides in Action PDF

Hari Leontiadou, Alan E. Mark, ‪Siewert J. Marrink - Journal of the American Chemical Society, 2006
Cited by 478 OpenAlex

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark et al. - Journal of Computational Chemistry, 2005
Cited by 18,714 OpenAlex

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6

Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren - Journal of Computational Chemistry, 2004
Cited by 3,712 OpenAlex

Coarse Grained Model for Semiquantitative Lipid Simulations PDF

‪Siewert J. Marrink, Alex H. de Vries, Alan E. Mark - The Journal of Physical Chemistry B, 2003
Cited by 2,274 OpenAlex

Simulation of Pore Formation in Lipid Bilayers by Mechanical Stress and Electric Fields PDF

D. Peter Tieleman, Hari Leontiadou, Alan E. Mark, ‪Siewert J. Marrink - Journal of the American Chemical Society, 2003
Cited by 459 OpenAlex

Research Topics

Protein Structure and Dynamics (129) Lipid Membrane Structure and Behavior (63) Spectroscopy and Quantum Chemical Studies (63) Enzyme Structure and Function (58) DNA and Nucleic Acid Chemistry (23)

Frequent Co-Authors

WI
Wilfred F. van Gunsteren
6 joint publications
‪S
‪Siewert J. Marrink
4 joint publications
AL
Alpeshkumar K. Malde
3 joint publications
MA
Martin Stroet
3 joint publications
HA
Hari Leontiadou
3 joint publications
CH
Chris Oostenbrink
2 joint publications

Affiliations

University of Siena
IT 2004 - 2004
Karlsruhe Institute of Technology
DE 2017 - 2017
University of Notre Dame
US 2011 - 2011
Goethe University Frankfurt
DE 2007 - 2007
Australian National University
AU 1990 - 1987

External Profiles

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