Gregory L. Warren

21.0k total citations · 3 hit papers
32 papers, 18.8k citations indexed

About

Gregory L. Warren is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Gregory L. Warren has authored 32 papers receiving a total of 18.8k indexed citations (citations by other indexed papers that have themselves been cited), including 15 papers in Molecular Biology, 10 papers in Computational Theory and Mathematics and 9 papers in Materials Chemistry. Recurrent topics in Gregory L. Warren's work include Protein Structure and Dynamics (15 papers), Spectroscopy and Quantum Chemical Studies (8 papers) and Computational Drug Discovery Methods (8 papers). Gregory L. Warren is often cited by papers focused on Protein Structure and Dynamics (15 papers), Spectroscopy and Quantum Chemical Studies (8 papers) and Computational Drug Discovery Methods (8 papers). Gregory L. Warren collaborates with scholars based in United States, United Kingdom and Netherlands. Gregory L. Warren's co-authors include Paul D. Adams, Axel T. Brünger, John Kuszewski, Michaël Nilges, Jiansheng Jiang, Ralf W. Grosse‐Kunstleve, Warren L. DeLano, Randy J. Read, Piet Gros and Neesh Pannu and has published in prestigious journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and The Journal of Physical Chemistry B.

In The Last Decade

Gregory L. Warren

31 papers receiving 18.6k citations

Hit Papers

align trajectories

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.

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

1998 14.9k citations Axel T. Brünger, Paul D. Adams et al. Acta Crystallographica Section D Biological Crystallography profile →
A Critical Assessment of Docking Programs and Scoring Functions

2005 1.3k citations Gregory L. Warren, Neysa Nevins et al. Journal of Medicinal Chemistry profile →
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

2010 1.3k citations Paul C. D. Hawkins, A. Geoffrey Skillman et al. Journal of Chemical Information and Modeling profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Gregory L. Warren United States	19	13.8k	4.2k	2.1k	2.0k	1.6k	32	18.8k
Gert Vriend Netherlands	63	15.3k 1.1×	3.7k 0.9×	1.9k 0.9×	1.8k 0.9×	1.0k 0.7×	192	21.0k
Alexandre M. J. J. Bonvin Netherlands	68	17.6k 1.3×	3.8k 0.9×	2.7k 1.3×	1.7k 0.8×	1.3k 0.8×	265	22.5k
S.K. Burley United States	86	23.1k 1.7×	3.9k 0.9×	1.7k 0.8×	3.3k 1.6×	1.6k 1.0×	333	33.0k
Wonpil Im United States	64	20.2k 1.5×	2.7k 0.6×	2.0k 1.0×	1.8k 0.9×	1.6k 1.0×	319	27.4k
Laurence H. Pearl United Kingdom	76	18.0k 1.3×	2.7k 0.6×	1.7k 0.8×	1.4k 0.7×	2.2k 1.4×	217	21.3k
James C. Gumbart United States	41	14.0k 1.0×	3.2k 0.8×	1.3k 0.6×	2.1k 1.0×	1.2k 0.8×	154	20.5k
W.B. Arendall United States	13	16.3k 1.2×	4.4k 1.1×	897 0.4×	2.3k 1.1×	1.6k 1.1×	16	22.6k
Thomas Simonson France	36	15.7k 1.1×	4.7k 1.1×	761 0.4×	2.2k 1.1×	1.7k 1.1×	128	20.4k
Malcolm W. MacArthur United Kingdom	18	18.7k 1.3×	5.7k 1.4×	1.3k 0.6×	2.4k 1.2×	1.8k 1.1×	20	25.5k
Kim A. Sharp United States	65	15.7k 1.1×	4.3k 1.0×	1.6k 0.8×	1.1k 0.5×	1.4k 0.9×	150	22.7k

Countries citing papers authored by Gregory L. Warren

Since Specialization

Citations

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

Fields of papers citing papers by Gregory L. Warren

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Gregory L. Warren. 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 Gregory L. Warren. The network helps show where Gregory L. Warren may publish in the future.

Co-authorship network of co-authors of Gregory L. Warren

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

All Works

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20 of 20 papers shown

1.

Hahn, David F., Christopher I. Bayly, Melissa L. Boby, et al.. (2022). Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0]. PubMed. 4(1). 1497–1497. 46 indexed citations

2.

Wall, Michael E., Gaetano Calabrò, Christopher I. Bayly, David L. Mobley, & Gregory L. Warren. (2019). Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations. Journal of the American Chemical Society. 141(11). 4711–4720. 27 indexed citations

3.

Moriarty, Nigel W., Brian Kelley, David A. Case, et al.. (2016). Improved ligand geometries in crystallographic refinement usingAFITTinPHENIX. Acta Crystallographica Section D Structural Biology. 72(9). 1062–1072. 23 indexed citations

4.

Kelley, Brian, Scott P. Brown, Gregory L. Warren, & Steven W. Muchmore. (2015). POSIT: Flexible Shape-Guided Docking For Pose Prediction. Journal of Chemical Information and Modeling. 55(8). 1771–1780. 108 indexed citations

5.

Hawkins, Paul C. D., Brian Kelley, & Gregory L. Warren. (2014). The Application of Statistical Methods to Cognate Docking: A Path Forward?. Journal of Chemical Information and Modeling. 54(5). 1339–1355. 15 indexed citations

6.

Warren, Gregory L., et al.. (2013). A circuit to demonstrate phase relationships inRLCcircuits. Physics Education. 48(3). 312–316. 2 indexed citations

7.

Warren, Gregory L., D. Thanh, Brian Kelley, Anthony Nicholls, & Stephen D. Warren. (2012). Essential considerations for using protein–ligand structures in drug discovery. Drug Discovery Today. 17(23-24). 1270–1281. 118 indexed citations

8.

Nicholls, Anthony, Georgia B. McGaughey, Robert P. Sheridan, et al.. (2010). Molecular Shape and Medicinal Chemistry: A Perspective. Journal of Medicinal Chemistry. 53(10). 3862–3886. 254 indexed citations

9.

Peterson, Gregory D., et al.. (2010). A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs. VLSI design. 2010. 1–8. 2 indexed citations

10.

Bauer, Brad A., Gregory L. Warren, & Sandeep Patel. (2009). Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid−Vapor Interface. Journal of Chemical Theory and Computation. 5(2). 359–373. 32 indexed citations

11.

Peterson, Gregory D., et al.. (2009). A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems. Computer Physics Communications. 180(12). 2563–2573. 5 indexed citations

12.

Hawkins, Paul C. D., Gregory L. Warren, A. Geoffrey Skillman, & Anthony Nicholls. (2008). How to do an evaluation: pitfalls and traps. Journal of Computer-Aided Molecular Design. 22(3-4). 191–192. 7 indexed citations

13.

Hawkins, Paul C. D., Gregory L. Warren, A. Geoffrey Skillman, & Anthony Nicholls. (2008). How to do an evaluation: pitfalls and traps. Journal of Computer-Aided Molecular Design. 22(3-4). 179–190. 121 indexed citations

14.

Warren, Gregory L., et al.. (2007). Thermodynamic and structural properties of methanol–water solutions using nonadditive interaction models. Journal of Computational Chemistry. 29(7). 1142–1152. 75 indexed citations

15.

Warren, Gregory L. & Sandeep Patel. (2007). Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: An assessment of simulation methodology and force field performance and transferability. The Journal of Chemical Physics. 127(6). 64509–64509. 103 indexed citations

16.

Peterson, Gregory D., et al.. (2006). Hardware Acceleration of Parallel Lagged-Fibonacci Pseudo Random Number Generation.. 215–218. 9 indexed citations

17.

Warren, Gregory L. & Robert J. Hinde. (2006). Population size bias in descendant-weighted diffusion quantum Monte Carlo simulations. Physical Review E. 73(5). 56706–56706. 17 indexed citations

18.

Jin, Jian, Dashyant Dhanak, Steven D. Knight, et al.. (2005). Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II receptor antagonists. Bioorganic & Medicinal Chemistry Letters. 15(13). 3229–3232. 17 indexed citations

19.

Brünger, Axel T., Paul D. Adams, G. Marius Clore, et al.. (1998). Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination. Acta Crystallographica Section D Biological Crystallography. 54(5). 905–921. 14950 indexed citations breakdown →

20.

Warren, Gregory L. & Gregory A. Petsko. (1995). Composition analysis of α-helices in thermophilic organisms. Protein Engineering Design and Selection. 8(9). 905–913. 40 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.

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