José S. Duca

3.4k total citations · 1 hit paper
56 papers, 2.1k citations indexed

About

José S. Duca is a scholar working on Molecular Biology, Computational Theory and Mathematics and Organic Chemistry. According to data from OpenAlex, José S. Duca has authored 56 papers receiving a total of 2.1k indexed citations (citations by other indexed papers that have themselves been cited), including 30 papers in Molecular Biology, 14 papers in Computational Theory and Mathematics and 13 papers in Organic Chemistry. Recurrent topics in José S. Duca's work include Computational Drug Discovery Methods (14 papers), Protein Structure and Dynamics (9 papers) and Cancer-related Molecular Pathways (7 papers). José S. Duca is often cited by papers focused on Computational Drug Discovery Methods (14 papers), Protein Structure and Dynamics (9 papers) and Cancer-related Molecular Pathways (7 papers). José S. Duca collaborates with scholars based in United States, Switzerland and Argentina. José S. Duca's co-authors include Callum J. Dickson, Viktor Horn̆ák, A. J. Hopfinger, Vincent Madison, Robert A. Pearlstein, Camilo Velez‐Vega, Adriana B. Pierini, Matthias Zentgraf, Jasmin Fisher and Jennifer Listgarten and has published in prestigious journals such as Journal of the American Chemical Society, Nucleic Acids Research and Advanced Materials.

In The Last Decade

José S. Duca

56 papers receiving 2.0k 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.

Rethinking drug design in the artificial intelligence era

2019 496 citations José S. Duca et al. profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
José S. Duca United States	25	1.1k	817	380	373	167	56	2.1k
Michelle L. Lamb United States	22	1.2k 1.1×	506 0.6×	453 1.2×	156 0.4×	327 2.0×	37	1.9k
Matteo Masetti Italy	24	1.7k 1.6×	803 1.0×	320 0.8×	328 0.9×	140 0.8×	63	2.6k
Gregory Sliwoski United States	11	1.1k 1.0×	793 1.0×	296 0.8×	199 0.5×	185 1.1×	17	1.9k
Outi M. H. Salo‐Ahen Finland	21	951 0.9×	409 0.5×	211 0.6×	174 0.5×	135 0.8×	48	1.8k
John Arrowsmith United Kingdom	13	1.3k 1.2×	835 1.0×	347 0.9×	115 0.3×	397 2.4×	19	3.3k
Johannes C. Hermann United States	21	984 0.9×	210 0.3×	227 0.6×	294 0.8×	147 0.9×	36	1.7k
Yan A. Ivanenkov Russia	28	1.1k 1.0×	869 1.1×	531 1.4×	535 1.4×	192 1.1×	95	2.4k
Boris Aguilar United States	14	1.3k 1.2×	291 0.4×	177 0.5×	284 0.8×	138 0.8×	34	1.9k
Owen B. Wallace United States	16	689 0.6×	405 0.5×	403 1.1×	91 0.2×	131 0.8×	27	1.6k
María Paula Magariños Argentina	7	1.4k 1.2×	1.4k 1.7×	225 0.6×	398 1.1×	113 0.7×	9	2.3k

Countries citing papers authored by José S. Duca

Since Specialization

Citations

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

Fields of papers citing papers by José S. Duca

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of José S. Duca

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

Koukos, Panagiotis I., Sepehr Dehghani‐Ghahnaviyeh, Camilo Velez‐Vega, et al.. (2023). Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications. Journal of Chemical Theory and Computation. 19(23). 8901–8918. 9 indexed citations

Theodoropoulou, Anastasia, Stefan Doerr, John I. Manchester, et al.. (2022). Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability. The Journal of Physical Chemistry B. 126(7). 1504–1519. 6 indexed citations

Manchester, John I., et al.. (2021). Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments. Journal of Chemical Theory and Computation. 17(5). 3088–3102. 41 indexed citations

Pavlova, Ànna, Diane L. Lynch, Isabella Daidone, et al.. (2020). Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Chemical Science. 12(4). 1513–1527. 49 indexed citations

Chen, Lieyang, Anthony Cruz, Steven Ramsey, et al.. (2019). Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening. PLoS ONE. 14(8). e0220113–e0220113. 169 indexed citations

Dickson, Callum J., Viktor Horn̆ák, Dallas Bednarczyk, & José S. Duca. (2018). Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. Journal of Chemical Information and Modeling. 59(1). 236–244. 28 indexed citations

Jiménez-Luna, José, Davide Sabbadin, Alberto Cuzzolin, et al.. (2018). PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks. Journal of Chemical Information and Modeling. 59(3). 1172–1181. 25 indexed citations

Sherborne, Bradley, Veerabahu Shanmugasundaram, Alan C. Cheng, et al.. (2016). Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. Journal of Computer-Aided Molecular Design. 30(12). 1139–1141. 38 indexed citations

Volkmuth, Wayne, José S. Duca, Michele Pallaoro, et al.. (2015). Antibodies to influenza nucleoprotein cross-react with human hypocretin receptor 2. WOS. 1 indexed citations

10.

Deng, Yongqi, Gerald W. Shipps, Lianyun Zhao, et al.. (2013). Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor. Bioorganic & Medicinal Chemistry Letters. 24(1). 199–203. 17 indexed citations

11.

Huang, Xiaohua, Cliff C. Cheng, Thierry Fischmann, et al.. (2013). Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 23(9). 2590–2594. 26 indexed citations

12.

Martin, E., Peter Ertl, Peter W. Hunt, José S. Duca, & Richard J. Lewis. (2011). Gazing into the crystal ball; the future of computer-aided drug design. Journal of Computer-Aided Molecular Design. 26(1). 77–79. 3 indexed citations

13.

Dwyer, Michael P., Kamil Paruch, Marc Labroli, et al.. (2010). Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach—Part 1. Bioorganic & Medicinal Chemistry Letters. 21(1). 467–470. 55 indexed citations

14.

Labroli, Marc, Kamil Paruch, Michael P. Dwyer, et al.. (2010). Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach—Part 2. Bioorganic & Medicinal Chemistry Letters. 21(1). 471–474. 62 indexed citations

15.

Cheng, Cliff C., Gerald W. Shipps, Zhiwei Yang, et al.. (2010). Inhibitors of hepatitis C virus polymerase: Synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. Bioorganic & Medicinal Chemistry Letters. 20(7). 2119–2124. 20 indexed citations

16.

Lesburg, Charles A. & José S. Duca. (2008). soaPDB: a web application for searching the Protein Data Bank, organizing results, and receiving automatic email alerts. Nucleic Acids Research. 36(Web Server). W252–W254. 2 indexed citations

17.

Fischmann, Thierry, Alan Hruza, José S. Duca, et al.. (2007). Structure‐guided discovery of cyclin‐dependent kinase inhibitors. Biopolymers. 89(5). 372–379. 46 indexed citations

18.

Dwyer, Michael P., Kamil Paruch, Carmen Álvarez, et al.. (2007). Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors. Bioorganic & Medicinal Chemistry Letters. 17(22). 6216–6219. 29 indexed citations

19.

Duca, José S. & Vincent Madison. (2005). Insights from ab initio quantum chemical calculations into the preferred tautomeric forms and binding affinities to CDK2 of substituted pyrazolopyridines. Biopolymers. 80(2-3). 312–318. 5 indexed citations

20.

Pierini, Adriana B., José S. Duca, & María T. Baumgartner. (1994). On the fragmentation of haloaromatic radical anions and their orbital isomerism. A theoretical study. Journal of Molecular Structure. 311. 343–352. 4 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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