Brock A. Luty

3.7k citations

32 papers · 2.9k indexed · 1 hit paper · h-index 21

Molecular Biology top 5%
Atomic and Molecular Physics, and Optics top 5%
Materials Chemistry top 10%
Computational Theory and Mathematics top 1%
Biomedical Engineering top 10%

Co-authors: J. Andrew McCammon Malcolm E. Davis Jeffry D. Madura Wilfred F. van Gunsteren Michael K. Gilson Rebecca C. Wade Ilario G. Tironi James M. Briggs
Topics: Protein Structure and Dynamics (19 papers)Spectroscopy and Quantum Chemical Studies (10 papers)Enzyme Structure and Function (7 papers)
Cited by: Computational Theory and Mathematics Molecular Biology Physical and Theoretical Chemistry
Journals: Journal of the American Chemical Society The Journal of Chemical Physics Journal of Molecular Biology
Partner nations: United States Switzerland Germany

In The Last Decade

Brock A. Luty

32 papers receiving 2.8k 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.

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

1995 711 citations Jeffry D. Madura, James M. Briggs et al. Computer Physics Communications profile →

Peers

Countries citing papers authored by Brock A. Luty

Since Specialization

Citations

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

Fields of papers citing papers by Brock A. Luty

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Brock A. Luty. 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 Brock A. Luty. The network helps show where Brock A. Luty may publish in the future.

Co-authorship network of co-authors of Brock A. Luty

This figure shows the co-authorship network connecting the top 25 collaborators of Brock A. Luty. A scholar is included among the top collaborators of Brock A. Luty 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 Brock A. Luty. Brock A. Luty 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

#	Work	Indexed citations
1	The Pfizer Crystal Structure Database: An essential tool for structure‐based design at Pfizer 2022 ·Journal of Computational Chemistry ·Daniel K. Gehlhaar,Brock A. Luty,(unknown),(unknown),Robert M. Owen,Peter W. Rose	2
2	The need for scientific software engineering in the pharmaceutical industry 2016 ·Journal of Computer-Aided Molecular Design ·Brock A. Luty,Peter W. Rose	3
3	Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains 2001 ·Proteins Structure Function and Bioinformatics ·Gennady M. Verkhivker,Djamal Bouzida,Daniel K. Gehlhaar,Paul A. Rejto,Lana Schaffer,Sandra Arthurs,Anthony B. Colson,Stephan T. Freer,Veda Larson,Brock A. Luty,Tami Marrone,Peter W. Rose	7
4	Deciphering common failures in molecular docking of ligand-protein complexes 2000 ·Journal of Computer-Aided Molecular Design ·Gennady M. Verkhivker,Djamal Bouzida,Daniel K. Gehlhaar,Paul A. Rejto,Sandra Arthurs,Anthony B. Colson,Stephan T. Freer,Veda Larson,Brock A. Luty,Tami Marrone,Peter W. Rose	186
5	Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach 2000 ·Perspectives in Drug Discovery and Design ·Tami Marrone,Brock A. Luty,Peter W. Rose	16
6	Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions 1999 ·Journal of Molecular Recognition ·Gennady M. Verkhivker,Paul A. Rejto,Djamal Bouzida,Sandra Arthurs,Anthony B. Colson,Stephan T. Freer,Daniel K. Gehlhaar,Veda Larson,Brock A. Luty,Tami Marrone,Peter W. Rose	31
7	Space-time correlated reaction field: A stochastic dynamical approach to the dielectric continuum 1997 ·The Journal of Chemical Physics ·Ilario G. Tironi,Brock A. Luty,Wilfred F. van Gunsteren	20
8	Time-Dependent Rate Coefficients from Brownian Dynamics Simulations 1996 ·The Journal of Physical Chemistry ·Michael J. Potter,Brock A. Luty,Huan‐Xiang Zhou,J. Andrew McCammon	18
9	Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions 1996 ·The Journal of Physical Chemistry ·Brock A. Luty,Wilfred F. van Gunsteren	178
10	Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics programbreakdown → 1995 ·Computer Physics Communications ·Jeffry D. Madura,James M. Briggs,Rebecca C. Wade,Malcolm E. Davis,Brock A. Luty,Andrew Ilin,Jan Antosiewicz,Michael K. Gilson,Babak Bagheri,L. Ridgway Scott,J. Andrew McCammon	711
11	A molecular mechanics/grid method for evaluation of ligand–receptor interactions 1995 ·Journal of Computational Chemistry ·Brock A. Luty,Zelda R. Wasserman,Pieter F. W. Stouten,C. Nicholas Hodge,Martin Zacharias,J. Andrew McCammon	134
12	Lattice-sum methods for calculating electrostatic interactions in molecular simulations 1995 ·The Journal of Chemical Physics ·Brock A. Luty,Ilario G. Tironi,Wilfred F. van Gunsteren	132
13	Simulation of enzyme–substrate encounter with gated active sites 1994 ·Nature Structural & Molecular Biology ·Rebecca C. Wade,Brock A. Luty,Eugene Demchuk,Jeffry D. Madura,Malcolm E. Davis,James M. Briggs,J. Andrew McCammon	62
14	Combined Conformational Search and Finite-Difference Poisson?Boltzmann Approach for Flexible Docking 1994 ·Journal of Molecular Biology ·Martin Zacharias,Brock A. Luty,Malcolm E. Davis,J. Andrew McCammon	45
15	A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems 1994 ·Molecular Simulation ·Brock A. Luty,Malcolm E. Davis,Ilario G. Tironi,Wilfred F. van Gunsteren	180
16	Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme 1993 ·Biophysical Journal ·Rebecca C. Wade,Malcolm E. Davis,Brock A. Luty,Jeffry D. Madura,J. Andrew McCammon	69
17	Brownian dynamics simulations of diffusional encounters between triose phosphate isomerase and glyceraldehyde phosphate: electrostatic steering of glyceraldehyde phosphate 1993 ·The Journal of Physical Chemistry ·Brock A. Luty,Rebecca C. Wade,Jeffry D. Madura,Malcolm E. Davis,James M. Briggs,J. Andrew McCammon	33
18	Poisson-Boltzmann analysis of the lambda repressor-operator interaction 1992 ·Biophysical Journal ·Martin Zacharias,Brock A. Luty,Malcolm E. Davis,J. Andrew McCammon	64
19	Electrostatic energy calculations by a Finite‐difference method: Rapid calculation of charge–solvent interaction energies 1992 ·Journal of Computational Chemistry ·Brock A. Luty,Malcolm E. Davis,J. Andrew McCammon	46
20	Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program 1991 ·Computer Physics Communications ·Malcolm E. Davis,Jeffry D. Madura,Brock A. Luty,J. Andrew McCammon	397

About Brock A. Luty

Brock A. Luty is a scholar working on Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry and Molecular Biology, having authored 32 papers that have together received 2.9k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (19 papers), Spectroscopy and Quantum Chemical Studies (10 papers) and Enzyme Structure and Function (7 papers). The work is most often cited by research in Computational Theory and Mathematics (486 citations), Molecular Biology (2.1k citations) and Physical and Theoretical Chemistry (256 citations). Brock A. Luty has collaborated with scholars based in United States, Switzerland and Germany. Frequent co-authors include J. Andrew McCammon, Malcolm E. Davis, Jeffry D. Madura, Wilfred F. van Gunsteren, Michael K. Gilson, Rebecca C. Wade, Ilario G. Tironi, James M. Briggs, Babak Bagheri and L. Ridgway Scott. Their work appears in journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and Journal of Molecular Biology.

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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