David S. Cerutti

7.1k total citations · 2 hit papers
28 papers, 3.7k citations indexed

About

David S. Cerutti is a scholar working on Molecular Biology, Materials Chemistry and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, David S. Cerutti has authored 28 papers receiving a total of 3.7k indexed citations (citations by other indexed papers that have themselves been cited), including 22 papers in Molecular Biology, 12 papers in Materials Chemistry and 8 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in David S. Cerutti's work include Protein Structure and Dynamics (18 papers), Enzyme Structure and Function (11 papers) and DNA and Nucleic Acid Chemistry (6 papers). David S. Cerutti is often cited by papers focused on Protein Structure and Dynamics (18 papers), Enzyme Structure and Function (11 papers) and DNA and Nucleic Acid Chemistry (6 papers). David S. Cerutti collaborates with scholars based in United States, Netherlands and Germany. David S. Cerutti's co-authors include David A. Case, Wolfgang Damm, Markus K. Dahlgren, Richard A. Friesner, Joseph W. Kaus, Jon R. Maple, Chuanjie Wu, William L. Jorgensen, Edward Harder and Lingle Wang 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

David S. Cerutti

27 papers receiving 3.7k 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.

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

2015 2.4k citations David S. Cerutti et al. Journal of Chemical Theory and Computation profile →
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

2018 330 citations David S. Cerutti, Adrián E. Roitberg et al. profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
David S. Cerutti United States	16	2.3k	820	681	656	393	28	3.7k
Jennifer L. Knight United States	16	2.2k 1.0×	878 1.1×	501 0.7×	682 1.0×	328 0.8×	23	3.5k
Goran Krilov United States	19	2.1k 0.9×	948 1.2×	489 0.7×	771 1.2×	544 1.4×	38	3.9k
Michel A. Cuendet Switzerland	22	2.1k 0.9×	639 0.8×	490 0.7×	577 0.9×	383 1.0×	54	4.0k
Yixiang Cao United States	14	1.5k 0.7×	597 0.7×	453 0.7×	687 1.0×	453 1.2×	23	3.1k
Thomas E. Exner Germany	29	1.8k 0.8×	930 1.1×	526 0.8×	609 0.9×	348 0.9×	93	3.3k
Sérgio F. Sousa Portugal	33	2.4k 1.0×	956 1.2×	902 1.3×	988 1.5×	386 1.0×	158	4.9k
Duncan Poole United States	4	3.0k 1.3×	534 0.7×	659 1.0×	431 0.7×	307 0.8×	5	4.3k
Marco De Vivo Italy	35	2.7k 1.2×	672 0.8×	710 1.0×	634 1.0×	287 0.7×	116	4.2k
Glen E. Kellogg United States	42	2.9k 1.3×	1.2k 1.5×	718 1.1×	918 1.4×	213 0.5×	143	4.9k
J. Shim South Korea	3	3.2k 1.4×	790 1.0×	909 1.3×	765 1.2×	723 1.8×	3	5.6k

Countries citing papers authored by David S. Cerutti

Since Specialization

Citations

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

Fields of papers citing papers by David S. Cerutti

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by David S. Cerutti. 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 David S. Cerutti. The network helps show where David S. Cerutti may publish in the future.

Co-authorship network of co-authors of David S. Cerutti

This figure shows the co-authorship network connecting the top 25 collaborators of David S. Cerutti. A scholar is included among the top collaborators of David S. Cerutti 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 David S. Cerutti. David S. Cerutti 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

Wiebeler, Christian, et al.. (2021). Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2. Physical Chemistry Chemical Physics. 23(21). 12494–12494.

Wiebeler, Christian, et al.. (2021). Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2. Physical Chemistry Chemical Physics. 23(12). 7359–7367. 15 indexed citations

Bogetti, Anthony T., Alex J. DeGrave, Karl T. Debiec, et al.. (2020). A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics. The Journal of Chemical Physics. 153(6). 15 indexed citations

Ghoreishi, Delaram, et al.. (2019). Fast Implementation of the Nudged Elastic Band Method in AMBER. Journal of Chemical Theory and Computation. 15(8). 4699–4707. 15 indexed citations

Cerutti, David S. & David A. Case. (2018). Molecular dynamics simulations of macromolecular crystals. Wiley Interdisciplinary Reviews Computational Molecular Science. 9(4). 28 indexed citations

Jin, Chi, David S. Cerutti, & Robert I. Cukier. (2017). Molecular Dynamics of Oxazole Yellow Dye in its Ground and First Excited Electronic States in Solution and when Intercalated in dsDNA. The Journal of Physical Chemistry B. 121(44). 10242–10248. 2 indexed citations

Zheng, Zheng, et al.. (2016). On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design. 31(1). 47–60. 13 indexed citations

Debiec, Karl T., et al.. (2016). Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model. Journal of Chemical Theory and Computation. 12(8). 3926–3947. 150 indexed citations

Cerutti, David S., William C. Swope, Julia E. Rice, & David A. Case. (2014). ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins. Journal of Chemical Theory and Computation. 10(10). 4515–4534. 86 indexed citations

10.

Mobley, David L., et al.. (2011). Alchemical prediction of hydration free energies for SAMPL. Journal of Computer-Aided Molecular Design. 26(5). 551–562. 61 indexed citations

11.

Baugh, Loren, Isolde Le Trong, David S. Cerutti, et al.. (2011). Second-Contact Shell Mutation Diminishes Streptavidin–Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics. Biochemistry. 51(2). 597–607. 7 indexed citations

12.

Cerutti, David S., Peter L. Freddolino, Robert E. Duke, & David A. Case. (2010). Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models. The Journal of Physical Chemistry B. 114(40). 12811–12824. 72 indexed citations

13.

Cerutti, David S., Robert E. Duke, Thomas A. Darden, & Terry P. Lybrand. (2009). Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility. Journal of Chemical Theory and Computation. 5(9). 2322–2338. 132 indexed citations

14.

Cerutti, David S., Isolde Le Trong, Ronald E. Stenkamp, & Terry P. Lybrand. (2009). Dynamics of the Streptavidin−Biotin Complex in Solution and in Its Crystal Lattice: Distinct Behavior Revealed by Molecular Simulations. The Journal of Physical Chemistry B. 113(19). 6971–6985. 34 indexed citations

15.

Cerutti, David S., Robert E. Duke, Peter L. Freddolino, Hao Fan, & Terry P. Lybrand. (2008). A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics. Journal of Chemical Theory and Computation. 4(10). 1669–1680. 71 indexed citations

16.

Cerutti, David S., Nathan Baker, & J. Andrew McCammon. (2007). Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?. The Journal of Chemical Physics. 127(15). 155101–155101. 33 indexed citations

17.

Cerutti, David S., Tushar Jain, & J. Andrew McCammon. (2006). CIRSE: A solvation energy estimator compatible with flexible protein docking and design applications. Protein Science. 15(7). 1579–1596. 11 indexed citations

18.

Jain, Tushar, David S. Cerutti, & J. Andrew McCammon. (2006). Configurational‐bias sampling technique for predicting side‐chain conformations in proteins. Protein Science. 15(9). 2029–2039. 25 indexed citations

19.

Cerutti, David S., Lynn F. Ten Eyck, & J. Andrew McCammon. (2004). Rapid Estimation of Solvation Energy for Simulations of Protein−Protein Association. Journal of Chemical Theory and Computation. 1(1). 143–152. 14 indexed citations

20.

Cerutti, David S., Chung F. Wong, & J. Andrew McCammon. (2003). Brownian dynamics simulations of ion atmospheres around polyalanine and B‐DNA: Effects of biomolecular dielectric. Biopolymers. 70(3). 391–402. 9 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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