Jason Swails

17.5k total citations · 4 hit papers
19 papers, 10.3k citations indexed

About

Jason Swails is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Spectroscopy. According to data from OpenAlex, Jason Swails has authored 19 papers receiving a total of 10.3k indexed citations (citations by other indexed papers that have themselves been cited), including 15 papers in Molecular Biology, 5 papers in Atomic and Molecular Physics, and Optics and 4 papers in Spectroscopy. Recurrent topics in Jason Swails's work include Protein Structure and Dynamics (12 papers), DNA and Nucleic Acid Chemistry (6 papers) and Spectroscopy and Quantum Chemical Studies (4 papers). Jason Swails is often cited by papers focused on Protein Structure and Dynamics (12 papers), DNA and Nucleic Acid Chemistry (6 papers) and Spectroscopy and Quantum Chemical Studies (4 papers). Jason Swails collaborates with scholars based in United States, China and Netherlands. Jason Swails's co-authors include Adrián E. Roitberg, Bill R. Miller, Nadine Homeyer, Holger Gohlke, T. Dwight McGee, Vijay S. Pande, Peter Eastman, Lee‐Ping Wang, Matthew P. Harrigan and Kyle A. Beauchamp and has published in prestigious journals such as Journal of the American Chemical Society, The Journal of Physical Chemistry B and Biochemistry.

In The Last Decade

Jason Swails

19 papers receiving 10.3k citations

Hit Papers

MMPBSA.py: An Efficient Program for End-State Free Energy... 2012 2026 2016 2021 2012 2015 2017 2015 1000 2.0k 3.0k
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. MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
    2012 3.3k citations Bill R. Miller, T. Dwight McGee et al. Journal of Chemical Theory and Computation profile →
  2. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
    2015 2.8k citations Jumin Lee, Xi Cheng et al. Journal of Chemical Theory and Computation profile →
  3. OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
    2017 1.7k citations Peter Eastman, Jason Swails et al. PLoS Computational Biology profile →
  4. MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
    2015 1.5k citations Robert T. McGibbon, Kyle A. Beauchamp et al. Biophysical Journal profile →

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
Jason Swails United States 15 7.2k 1.6k 1.5k 989 784 19 10.3k
Lauren Wickstrom United States 17 6.3k 0.9× 1.3k 0.8× 1.3k 0.9× 817 0.8× 554 0.7× 23 8.8k
Koushik Kasavajhala United States 7 6.7k 0.9× 1.4k 0.9× 1.3k 0.9× 900 0.9× 457 0.6× 9 9.4k
Jing Huang China 32 7.2k 1.0× 1.1k 0.7× 1.8k 1.2× 761 0.8× 1.4k 1.8× 135 11.0k
Viktor Horn̆ák United States 29 6.7k 0.9× 1.1k 0.7× 1.8k 1.2× 651 0.7× 945 1.2× 48 8.6k
Michael P. Eastwood United States 27 6.2k 0.9× 1.4k 0.9× 1.8k 1.3× 802 0.8× 957 1.2× 42 8.8k
Yibing Shan United States 31 6.8k 0.9× 1.7k 1.1× 1.4k 0.9× 887 0.9× 562 0.7× 47 9.6k
Kenno Vanommeslaeghe United States 25 6.6k 0.9× 1.6k 1.0× 1.9k 1.3× 1.6k 1.6× 1.4k 1.8× 38 11.2k
Olgun Guvench United States 28 5.7k 0.8× 1.2k 0.8× 1.6k 1.1× 1.4k 1.4× 1.1k 1.5× 53 9.4k
Adrian J. Mulholland United Kingdom 61 6.8k 0.9× 1.3k 0.8× 2.3k 1.6× 1.6k 1.6× 1.3k 1.6× 275 11.5k
Tai‐Sung Lee United States 31 8.0k 1.1× 1.9k 1.2× 1.9k 1.3× 1.2k 1.2× 1.7k 2.1× 76 11.8k

Countries citing papers authored by Jason Swails

Since Specialization
Citations

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

Fields of papers citing papers by Jason Swails

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Jason Swails

This figure shows the co-authorship network connecting the top 25 collaborators of Jason Swails. A scholar is included among the top collaborators of Jason Swails 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 Jason Swails. Jason Swails is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

19 of 19 papers shown
1.
Moriarty, Nigel W., Jason Swails, Thi Hong Hai Nguyen, et al.. (2019). Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix. Acta Crystallographica Section D Structural Biology. 76(1). 51–62. 27 indexed citations
2.
Liu, Jinfeng, Jason Swails, John Z. H. Zhang, Xiao He, & Adrián E. Roitberg. (2018). A Coupled Ionization-Conformational Equilibrium Is Required To Understand the Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease. Journal of the American Chemical Society. 140(5). 1639–1648. 17 indexed citations
3.
Case, David A., et al.. (2018). Improved chemistry restraints for crystallographic refinement by integrating Amber molecular mechanics in Phenix. Acta Crystallographica Section A Foundations and Advances. 74(a1). a145–a145. 1 indexed citations
4.
Eastman, Peter, Jason Swails, John D. Chodera, et al.. (2017). OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. PLoS Computational Biology. 13(7). e1005659–e1005659. 1736 indexed citations breakdown →
5.
Swails, Jason, et al.. (2017). Improved Accuracy for Constant pH-REMD Simulations through Modification of Carboxylate Effective Radii. Journal of Chemical Theory and Computation. 13(10). 4624–4635. 8 indexed citations
6.
Nguyen, Thi Hong Hai, Daniel R. Roe, Jason Swails, & David A. Case. (2016). PYTRAJ v1.0.0.dev1: Interactive data analysis for molecular dynamics simulations. Zenodo (CERN European Organization for Nuclear Research). 17 indexed citations
7.
Shirts, Michael R., Christoph Klein, Jason Swails, et al.. (2016). Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. Journal of Computer-Aided Molecular Design. 31(1). 147–161. 242 indexed citations
8.
McGibbon, Robert T., Kyle A. Beauchamp, Matthew P. Harrigan, et al.. (2015). MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories. Biophysical Journal. 109(8). 1528–1532. 1537 indexed citations breakdown →
9.
Swails, Jason, Tong Zhu, Xiao He, & David A. Case. (2015). AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules. Journal of Biomolecular NMR. 63(2). 125–139. 51 indexed citations
10.
Swails, Jason, et al.. (2015). Interpretation of pH–Activity Profiles for Acid–Base Catalysis from Molecular Simulations. Biochemistry. 54(6). 1307–1313. 32 indexed citations
11.
Lee, Jumin, Xi Cheng, Jason Swails, et al.. (2015). CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. Journal of Chemical Theory and Computation. 12(1). 405–413. 2803 indexed citations breakdown →
12.
Swails, Jason, Darrin M. York, & Adrián E. Roitberg. (2014). Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation. Journal of Chemical Theory and Computation. 10(3). 1341–1352. 213 indexed citations
13.
Bergonzo, Christina, Niel M. Henriksen, Daniel R. Roe, et al.. (2013). Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA Tetranucleotide. Journal of Chemical Theory and Computation. 10(1). 492–499. 109 indexed citations
14.
15.
Cui, Guanglei, Jason Swails, & Eric S. Manas. (2013). SPAM: A Simple Approach for Profiling Bound Water Molecules. Journal of Chemical Theory and Computation. 9(12). 5539–5549. 42 indexed citations
16.
Swails, Jason & Adrián E. Roitberg. (2012). Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics. Journal of Chemical Theory and Computation. 8(11). 4393–4404. 87 indexed citations
17.
Miller, Bill R., T. Dwight McGee, Jason Swails, et al.. (2012). MMPBSA.py: An Efficient Program for End-State Free Energy Calculations. Journal of Chemical Theory and Computation. 8(9). 3314–3321. 3339 indexed citations breakdown →
18.
Jeletic, Matthew S., et al.. (2011). Synthesis and characterization of κ-2-bis-N-heterocyclic carbene rhodium(I) catalysts: Application in enantioselective arylboronic acid addition to cyclohex-2-enones. Journal of Organometallic Chemistry. 696(20). 3127–3134. 9 indexed citations
19.
Swails, Jason, Yilin Meng, F. Ann Walker, et al.. (2009). pH-Dependent Mechanism of Nitric Oxide Release in Nitrophorins 2 and 4. The Journal of Physical Chemistry B. 113(4). 1192–1201. 30 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 Lauren Wickstrom Breakdown of academic impact, for papers by Koushik Kasavajhala Breakdown of academic impact, for papers by Jing Huang Breakdown of academic impact, for papers by Viktor Horn̆ák Breakdown of academic impact, for papers by Michael P. Eastwood Breakdown of academic impact, for papers by Yibing Shan Breakdown of academic impact, for papers by Kenno Vanommeslaeghe Breakdown of academic impact, for papers by Olgun Guvench Breakdown of academic impact, for papers by Adrian J. Mulholland Breakdown of academic impact, for papers by Tai‐Sung Lee
Rankless by CCL
2026