Edward Harder

13.0k citations

36 papers · 9.7k indexed · 5 hit papers · h-index 30

Impact in

Computational Theory and Mathematics top 0.1%
- Computational Drug Discovery Methods
Physical and Theoretical Chemistry top 0.5%

Papers in

Computational Theory and Mathematics 12
- Computational Drug Discovery Methods 12
Atomic and Molecular Physics, and Optics 14
- Spectroscopy and Quantum Chemical Studies 13
- Quantum, superfluid, helium dynamics 6
- Advanced Chemical Physics Studies 5

Co-authors: Richard A. Friesner Robert Abel Lingle Wang Benoı̂t Roux Wolfgang Damm Chuanjie Wu Markus K. Dahlgren B. J. Berne
Journals: Journal of Chemical Theory and Computation (14 papers)The Journal of Physical Chemistry B (6 papers)Journal of Chemical Information and Modeling (4 papers)The Journal of Chemical Physics (2 papers)Accounts of Chemical Research (1 paper)
Partner nations: United States Canada Sweden

In The Last Decade

Edward Harder

36 papers receiving 9.6k citations

Hit Papers

5 papers align trajectories log scale

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space 2021 · 1.1k 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.

2021 Journal of Chemical Theory and Computation
2019 Journal of Chemical Theory and Computation
2015 Journal of Chemical Theory and Computation
2013 International Journal of Quantum Chemistry
2005 Chemical Physics Letters

Peers

Countries citing papers authored by Edward Harder

Since Specialization

Citations

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

Fields of papers citing papers by Edward Harder

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Edward Harder. 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 Edward Harder. The network helps show where Edward Harder may publish in the future.

Co-authorship network

The 25 scholars most cited alongside Edward Harder, 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 Edward Harder Line = papers co-authored together Edward Harder links everyone, so they are left out of the graph.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

#	Work
1	Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands Journal of Chemical Information and Modeling ·Kenneth Pfeiffer, Knott John, Chuanjie Wu, Wolfgang Damm, David R. Langley, Devleena Shivakumar, Dmitry Lupyan, Lingle Wang, Edward Harder, E.O. Oloo	2025	1
2	A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein–Ligand Binding Journal of Chemical Theory and Computation ·M Inaba, Alina P. Sergeeva, Edward Harder, Lingle Wang, Jared M. Sampson, Barry Honig, Richard A. Friesner	2024	1
3	The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Communications Chemistry ·Gregory A. Ross, Chao Lü, Guido Scarabelli, Steven K. Albanese, Evelyne M. Houang, Robert Abel, Edward Harder, Lingle Wang	2023	64
4	Reliable and Accurate Prediction of Single-Residue p K _a Values through Free Energy Perturbation Calculations Journal of Chemical Theory and Computation ·Paris Jaggers, Wei Chen, Anthony Clark, Chao Lü, Edward Harder, Lingle Wang, Richard A. Friesner, Edward B. Miller	2022	13
5	Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions Journal of Chemical Theory and Computation ·Leif D. Jacobson, James Stevenson, Farhad Ramezanghorbani, Delaram Ghoreishi, Karl Leswing, Edward Harder, Robert Abel	2022	42
6	OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space Journal of Chemical Theory and Computation ·Chao Lü, Chuanjie Wu, Delaram Ghoreishi, Wei Chen, Lingle Wang, Wolfgang Damm, Gregory A. Ross, Markus K. Dahlgren, 久男矢吹, Amy E. Oberstadt, Robert Abel, Richard A. Friesner, Edward Harder Hit paper breakdown →	2021	1074
7	Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo Journal of Chemical Theory and Computation ·Gregory A. Ross, 久男矢吹, Yuqing Deng, Chao Lü, Edward Harder, Robert Abel, Lingle Wang	2020	67
8	Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials Journal of Chemical Theory and Computation ·Jasna Gačić, Delaram Ghoreishi, 史万超, Wolfgang Damm, Edward Harder, Robert Abel, Lingle Wang, Haoyu S. Yu	2020	8
9	OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules Journal of Chemical Theory and Computation ·Katarina Roos, Chuanjie Wu, Wolfgang Damm, Dotan Davidovich, James Stevenson, Chao Lü, Markus K. Dahlgren, Sayan Mondal, Wei Chen, Lingle Wang, Robert Abel, Richard A. Friesner, Edward Harder Hit paper breakdown →	2019	857
10	Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics Journal of Chemical Information and Modeling ·Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang	2019	29
11	High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions Scientific Reports ·Саклаков Алексей Викторович, Lawrence A. Renna, Roberto Rossin, H. Shaun Kwak, Edward Harder, Wolfgang Damm, D. Venkataraman	2017	39
12	Advancing Drug Discovery through Enhanced Free Energy Calculations Accounts of Chemical Research ·Robert Abel, Lingle Wang, Edward Harder, B. J. Berne, Richard A. Friesner	2017	233
13	How To Deal with Multiple Binding Poses in Alchemical Relative Protein–Ligand Binding Free Energy Calculations Journal of Chemical Theory and Computation ·Joseph W. Kaus, Edward Harder, Lin Teng, Robert Abel, J. Andrew McCammon, Lingle Wang	2015	52
14	Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences International Journal of Quantum Chemistry ·Arteum D. Bochevarov, Edward Harder, Thomas F. Hughes, Jeremy R. Greenwood, Dale A. Braden, Dean M. Philipp, David Rinaldo, Mathew D. Halls, Jing Zhang, Richard A. Friesner Hit paper breakdown →	2013	1484
15	Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane Journal of Membrane Science ·Yun Luo, Edward Harder, Ron S. Faibish, Benoı̂t Roux	2011	94
16	Many-Body Polarization Effects and the Membrane Dipole Potential Journal of the American Chemical Society ·Edward Harder, Alexander D. MacKerell, Benoı̂t Roux	2009	87
17	Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator Journal of Chemical Theory and Computation ·Edward Harder, Victor M. Anisimov, Igor Vorobyov, Pedro E. M. Lopes, Sergei Y. Noskov, Alexander D. MacKerell, Benoı̂t Roux	2006	133
18	A polarizable model of water for molecular dynamics simulations of biomolecules Chemical Physics Letters ·Guillaume Lamoureux, Edward Harder, Igor Vorobyov, Benoı̂t Roux, Alexander D. MacKerell Hit paper breakdown →	2005	544
19	Polarizable molecules in the vibrational spectroscopy of water Proceedings of the National Academy of Sciences ·Edward Harder, Joel D. Eaves, Andrei Tokmakoff, B. J. Berne	2005	76
20	Influence of solvent polarity on the photoreactivity of 2–4-ring aromatic o-quinones Journal of the Chemical Society Perkin Transactions 2 ·Mónica Barra, Edward Harder, D. Martouret	1999	17

About Edward Harder

Edward Harder is a scholar working on Computational Theory and Mathematics, Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Molecular Biology and Materials Chemistry, having authored 36 papers that have together received 9.7k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (19 papers), Spectroscopy and Quantum Chemical Studies (13 papers), Computational Drug Discovery Methods (12 papers), Quantum, superfluid, helium dynamics (6 papers), Advanced Chemical Physics Studies (5 papers), Enzyme Structure and Function (5 papers), Mass Spectrometry Techniques and Applications (3 papers) and Click Chemistry and Applications (2 papers). The work is most often cited by research in Computational Theory and Mathematics (1.9k citations), Physical and Theoretical Chemistry (632 citations), Molecular Biology (4.7k citations), Organic Chemistry (1.9k citations) and Filtration and Separation (131 citations). Edward Harder has collaborated with scholars based in United States, Canada and Sweden. Frequent co-authors include Richard A. Friesner, Robert Abel, Lingle Wang, Benoı̂t Roux, Wolfgang Damm, Chuanjie Wu, Markus K. Dahlgren, B. J. Berne, Alexander D. MacKerell and Jeremy R. Greenwood. Their work appears in journals such as Journal of Chemical Theory and Computation, The Journal of Physical Chemistry B, Journal of Chemical Information and Modeling, The Journal of Chemical Physics and Accounts of Chemical Research.

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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