Daniel K. Gehlhaar

2.7k total citations · 2 hit papers
24 papers, 2.0k citations indexed

About

Daniel K. Gehlhaar is a scholar working on Molecular Biology, Materials Chemistry and Computational Theory and Mathematics. According to data from OpenAlex, Daniel K. Gehlhaar has authored 24 papers receiving a total of 2.0k indexed citations (citations by other indexed papers that have themselves been cited), including 20 papers in Molecular Biology, 11 papers in Materials Chemistry and 10 papers in Computational Theory and Mathematics. Recurrent topics in Daniel K. Gehlhaar's work include Protein Structure and Dynamics (15 papers), Computational Drug Discovery Methods (10 papers) and Enzyme Structure and Function (10 papers). Daniel K. Gehlhaar is often cited by papers focused on Protein Structure and Dynamics (15 papers), Computational Drug Discovery Methods (10 papers) and Enzyme Structure and Function (10 papers). Daniel K. Gehlhaar collaborates with scholars based in United States and United Kingdom. Daniel K. Gehlhaar's co-authors include Charles R. Kissinger, Stephan T. Freer, Paul A. Rejto, Gennady M. Verkhivker, Christopher J. Sherman, Lawrence J. Fogel, Djamal Bouzida, Peter W. Rose, Brock A. Luty and Veda Larson and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Journal of Medicinal Chemistry and Chemical Physics Letters.

In The Last Decade

Daniel K. Gehlhaar

23 papers receiving 1.9k citations

Hit Papers

Molecular recognition of the inhibitor AG-1343 by HIV-1 p... 1995 2026 2005 2015 1995 1999 100 200 300 400 500
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. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
    1995 543 citations Daniel K. Gehlhaar, Gennady M. Verkhivker et al. Chemistry & Biology profile →
  2. Rapid automated molecular replacement by evolutionary search
    1999 526 citations Charles R. Kissinger, Daniel K. Gehlhaar et al. Acta Crystallographica Section D Biological Crystallography profile →

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
Daniel K. Gehlhaar United States 17 1.5k 725 446 318 136 24 2.0k
Pieter F. W. Stouten United States 20 1.4k 0.9× 696 1.0× 306 0.7× 313 1.0× 128 0.9× 54 2.1k
Diane Joseph‐McCarthy United States 32 1.7k 1.2× 547 0.8× 408 0.9× 310 1.0× 151 1.1× 78 2.8k
Friedrich Rippmann Germany 18 1.9k 1.2× 924 1.3× 366 0.8× 216 0.7× 168 1.2× 41 2.6k
P. Therese Lang United States 11 1.8k 1.2× 773 1.1× 614 1.4× 301 0.9× 79 0.6× 13 2.4k
Lisa Iype United States 6 1.6k 1.1× 412 0.6× 378 0.8× 228 0.7× 82 0.6× 7 2.3k
Jayashree Srinivasan United States 11 1.7k 1.2× 380 0.5× 310 0.7× 225 0.7× 130 1.0× 16 2.2k
Natalya S. Bogatyreva Russia 17 1.6k 1.1× 437 0.6× 365 0.8× 247 0.8× 89 0.7× 29 2.4k
Chaya S. Rapp United States 12 2.0k 1.3× 623 0.9× 471 1.1× 378 1.2× 157 1.2× 14 2.8k
Zhexin Xiang United States 12 2.1k 1.4× 484 0.7× 570 1.3× 198 0.6× 185 1.4× 17 2.8k
Inbal Halperin United States 9 1.4k 0.9× 629 0.9× 383 0.9× 122 0.4× 144 1.1× 9 1.8k

Countries citing papers authored by Daniel K. Gehlhaar

Since Specialization
Citations

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

Fields of papers citing papers by Daniel K. Gehlhaar

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Daniel K. Gehlhaar. 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 Daniel K. Gehlhaar. The network helps show where Daniel K. Gehlhaar may publish in the future.

Co-authorship network of co-authors of Daniel K. Gehlhaar

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

All Works

20 of 20 papers shown
1.
Gehlhaar, Daniel K., et al.. (2024). FitScore: a fast machine learning-based score for 3D virtual screening enrichment. Journal of Computer-Aided Molecular Design. 38(1). 29–29. 1 indexed citations
2.
Gehlhaar, Daniel K., et al.. (2022). The Pfizer Crystal Structure Database: An essential tool for structure‐based design at Pfizer. Journal of Computational Chemistry. 43(15). 1053–1062. 2 indexed citations
3.
Midelfort, Katarina S., Seungil Han, Michael J. Karmilowicz, et al.. (2012). Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Engineering Design and Selection. 26(1). 25–33. 112 indexed citations
4.
Gehlhaar, Daniel K., et al.. (2007). Evaluation of a Published in Silico Model and Construction of a Novel Bayesian Model for Predicting Phospholipidosis Inducing Potential. Journal of Chemical Information and Modeling. 47(3). 1196–1205. 73 indexed citations
5.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2003). Simulating disorder–order transitions in molecular recognition of unstructured proteins: Where folding meets binding. Proceedings of the National Academy of Sciences. 100(9). 5148–5153. 81 indexed citations
6.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2003). Computational detection of the binding‐site hot spot at the remodeled human growth hormone–receptor interface. Proteins Structure Function and Bioinformatics. 53(2). 201–219. 22 indexed citations
7.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2002). Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: The energy landscape analysis of a hot spot at the intermolecular interface. Proteins Structure Function and Bioinformatics. 48(3). 539–557. 25 indexed citations
8.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2002). Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective. Current Opinion in Structural Biology. 12(2). 197–203. 80 indexed citations
9.
Kissinger, Charles R., Daniel K. Gehlhaar, Bradley A. Smith, & Djamal Bouzida. (2001). Molecular replacement by evolutionary search. Acta Crystallographica Section D Biological Crystallography. 57(10). 1474–1479. 49 indexed citations
10.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2001). Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains. Proteins Structure Function and Bioinformatics. 45(4). 456–470. 7 indexed citations
11.
Verkhivker, Gennady M., Paul A. Rejto, Djamal Bouzida, et al.. (2001). Parallel simulated tempering dynamics of ligand–protein binding with ensembles of protein conformations. Chemical Physics Letters. 337(1-3). 181–189. 17 indexed citations
12.
Verkhivker, Gennady M., Paul A. Rejto, Djamal Bouzida, et al.. (2001). Navigating ligand–protein binding free energy landscapes: universality and diversity of protein folding and molecular recognition mechanisms. Chemical Physics Letters. 336(5-6). 495–503. 9 indexed citations
13.
Verkhivker, Gennady M., Djamal Bouzida, Daniel K. Gehlhaar, et al.. (2000). Deciphering common failures in molecular docking of ligand-protein complexes. Journal of Computer-Aided Molecular Design. 14(8). 731–751. 186 indexed citations
14.
Verkhivker, Gennady M., Paul A. Rejto, Djamal Bouzida, et al.. (1999). Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions. Journal of Molecular Recognition. 12(6). 371–389. 31 indexed citations
15.
Kissinger, Charles R., et al.. (1999). Rapid automated molecular replacement by evolutionary search. Acta Crystallographica Section D Biological Crystallography. 55(2). 484–491. 526 indexed citations breakdown →
16.
Verkhivker, Gennady M., Paul A. Rejto, Daniel K. Gehlhaar, & Stephan T. Freer. (1996). Exploring the energy landscapes of molecular recognition by a genetic algorithm: Analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes. Proteins Structure Function and Bioinformatics. 25(3). 342–353. 44 indexed citations
17.
Gehlhaar, Daniel K. & David B. Fogel. (1996). Tuning Evolutionary Programming for Conformationally Flexible Molecular Docking.. 419–429. 49 indexed citations
18.
Melnick, Michael, Siegfried Reich, Anthony J. Trippe, et al.. (1996). ChemInform Abstract: Bis Tertiary Amide Inhibitors of the HIV‐1 Protease Generated via Protein Structure‐Based Iterative Design.. ChemInform. 27(43).
19.
Gehlhaar, Daniel K., et al.. (1995). De Novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation. Journal of Medicinal Chemistry. 38(3). 466–472. 76 indexed citations
20.
Gehlhaar, Daniel K., Gennady M. Verkhivker, Paul A. Rejto, et al.. (1995). Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. Chemistry & Biology. 2(5). 317–324. 543 indexed citations breakdown →

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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