Gerald M. Maggiora

8.1k total citations · 2 hit papers
143 papers, 5.4k citations indexed

About

Gerald M. Maggiora is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Gerald M. Maggiora has authored 143 papers receiving a total of 5.4k indexed citations (citations by other indexed papers that have themselves been cited), including 68 papers in Molecular Biology, 50 papers in Computational Theory and Mathematics and 38 papers in Materials Chemistry. Recurrent topics in Gerald M. Maggiora's work include Computational Drug Discovery Methods (50 papers), Spectroscopy and Quantum Chemical Studies (20 papers) and Advanced Chemical Physics Studies (20 papers). Gerald M. Maggiora is often cited by papers focused on Computational Drug Discovery Methods (50 papers), Spectroscopy and Quantum Chemical Studies (20 papers) and Advanced Chemical Physics Studies (20 papers). Gerald M. Maggiora collaborates with scholars based in United States, Germany and United Kingdom. Gerald M. Maggiora's co-authors include Mark A. Johnson, Ralph E. Christoffersen, Jürgen Bajorath, James D. Petke, Martin Vogt, Ian H. Williams, Dagmar Stumpfe, Lester L. Shipman, Chun‐Ting Zhang and Veerabahu Shanmugasundaram and has published in prestigious journals such as Nature, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Gerald M. Maggiora

141 papers receiving 5.1k 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.

Concepts and applications of molecular similarity

1990 947 citations Mark A. Johnson, Gerald M. Maggiora Wiley eBooks profile →
Molecular Similarity in Medicinal Chemistry

2013 431 citations Gerald M. Maggiora, Martin Vogt et al. profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Gerald M. Maggiora United States	40	2.9k	2.2k	1.2k	870	854	143	5.4k
W. Thomas Pollard United States	18	3.4k 1.2×	1.5k 0.7×	545 0.5×	1.6k 1.8×	634 0.7×	20	6.8k
John B. O. Mitchell United Kingdom	39	3.1k 1.1×	2.4k 1.1×	1.8k 1.5×	381 0.4×	785 0.9×	124	5.8k
Ramy Farid United States	28	5.3k 1.8×	1.7k 0.8×	1.1k 0.9×	746 0.9×	402 0.5×	48	8.2k
Chuanjie Wu United States	15	3.7k 1.3×	1.4k 0.6×	1.2k 1.0×	1.3k 1.5×	629 0.7×	21	6.9k
Hans‐Joachim Böhm Germany	29	2.1k 0.7×	1.3k 0.6×	589 0.5×	870 1.0×	563 0.7×	47	5.1k
Gilles Klopman United States	46	2.0k 0.7×	2.5k 1.1×	897 0.8×	1.0k 1.2×	1.4k 1.7×	228	8.5k
Wolfgang Damm United States	21	4.7k 1.6×	2.0k 0.9×	1.2k 1.0×	849 1.0×	576 0.7×	29	9.1k
Araz Jakalian Canada	20	3.2k 1.1×	1.2k 0.5×	790 0.7×	553 0.6×	727 0.9×	27	5.7k
W. Graham Richards United Kingdom	39	1.8k 0.6×	1.3k 0.6×	920 0.8×	1.7k 1.9×	1.1k 1.3×	216	5.2k
David A. Pearlman United States	33	4.5k 1.6×	934 0.4×	1.2k 1.0×	1.2k 1.3×	666 0.8×	62	6.5k

Countries citing papers authored by Gerald M. Maggiora

Since Specialization

Citations

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

Fields of papers citing papers by Gerald M. Maggiora

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Gerald M. Maggiora. 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 Gerald M. Maggiora. The network helps show where Gerald M. Maggiora may publish in the future.

Co-authorship network of co-authors of Gerald M. Maggiora

This figure shows the co-authorship network connecting the top 25 collaborators of Gerald M. Maggiora. A scholar is included among the top collaborators of Gerald M. Maggiora 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 Gerald M. Maggiora. Gerald M. Maggiora 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

Zhang, Bijun, Martin Vogt, Gerald M. Maggiora, & Jürgen Bajorath. (2015). Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. Journal of Computer-Aided Molecular Design. 29(10). 937–950. 43 indexed citations

Zhang, Bijun, Martin Vogt, Gerald M. Maggiora, & Jürgen Bajorath. (2015). Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity. Journal of Computer-Aided Molecular Design. 29(7). 595–608. 19 indexed citations

Maggiora, Gerald M. & Jürgen Bajorath. (2014). Chemical space networks: a powerful new paradigm for the description of chemical space. Journal of Computer-Aided Molecular Design. 28(8). 795–802. 57 indexed citations

Hu, Ye, Gerald M. Maggiora, & Jürgen Bajorath. (2013). Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account. Journal of Computer-Aided Molecular Design. 27(2). 115–124. 8 indexed citations

Iyer, Preeti, Dagmar Stumpfe, Martin Vogt, Jürgen Bajorath, & Gerald M. Maggiora. (2013). Activity Landscapes, Information Theory, and Structure – Activity Relationships. Molecular Informatics. 32(5-6). 421–430. 20 indexed citations

Scior, Thomas, Philippe Bernard, José L. Medina‐Franco, & Gerald M. Maggiora. (2007). Large Compound Databases for Structure-Activity Relationships Studies in Drug Discovery. Mini-Reviews in Medicinal Chemistry. 7(8). 851–860. 31 indexed citations

Houghten, Richard A., Clemencia Pinilla, Marc A. Giulianotti, et al.. (2007). Strategies for the Use of Mixture-Based Synthetic Combinatorial Libraries: Scaffold Ranking, Direct Testing In Vivo, and Enhanced Deconvolution by Computational Methods. Journal of Combinatorial Chemistry. 10(1). 3–19. 96 indexed citations

Lang, P. Therese, Irwin D. Kuntz, Gerald M. Maggiora, & Jürgen Bajorath. (2005). Evaluating the High-Throughput Screening Computations. SLAS DISCOVERY. 10(7). 649–652. 18 indexed citations

Mestres, Jordi, Douglas C. Rohrer, & Gerald M. Maggiora. (2000). A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching. Journal of Computer-Aided Molecular Design. 14(1). 39–51. 19 indexed citations

10.

Mestres, Jordi, Douglas C. Rohrer, & Gerald M. Maggiora. (1999). A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. Journal of Computer-Aided Molecular Design. 13(1). 79–93. 26 indexed citations

11.

Liu, Weimin, et al.. (1998). Prediction and classification of domain structural classes. Proteins Structure Function and Bioinformatics. 31(1). 97–103. 6 indexed citations

12.

Mestres, Jordi, Douglas C. Rohrer, & Gerald M. Maggiora. (1997). A molecular field-based similarity approach to pharmacophoric pattern recognition. Journal of Molecular Graphics and Modelling. 15(2). 114–121. 28 indexed citations

13.

Narasimhan, Lakshmi & Gerald M. Maggiora. (1992). A preliminary 3-D model of the tertiary fold of the polymerase domain of HIV-1 reverse transcriptase. Protein Engineering Design and Selection. 5(2). 139–146. 4 indexed citations

14.

Chou, Kuo‐Chen, et al.. (1992). An energy‐based approach to packing the 7‐helix bundle of bacteriorhodopsin. Protein Science. 1(6). 810–827. 34 indexed citations

15.

Maggiora, Gerald M., et al.. (1992). Computational neural networks as model-free mapping devices. Journal of Chemical Information and Computer Sciences. 32(6). 732–741. 58 indexed citations

16.

Maggiora, Gerald M., et al.. (1991). Theoretical and Empirical Approaches to Protein‐Structure Prediction and Analysis. Methods of biochemical analysis. 35. 1–86. 1 indexed citations

17.

Mao, Boryeu, Gerald M. Maggiora, & K.-C. Chou. (1991). Mass‐weighted molecular dynamics simulation of cyclic polypeptides. Biopolymers. 31(9). 1077–1086. 18 indexed citations

18.

Maggiora, Gerald M., et al.. (1990). A new chiral feature in α‐helical domains of proteins. Biopolymers. 30(1-2). 211–214. 15 indexed citations

19.

Johnson, Mark A. & Gerald M. Maggiora. (1990). Concepts and applications of molecular similarity. Wiley eBooks. 947 indexed citations breakdown →

20.

Maggiora, Gerald M. & Ian H. Williams. (1982). Intermolecular interaction energies from minimal-basis SCF calculations. Interactions pertinent to formaldehyde hydration. Journal of Molecular Structure THEOCHEM. 88(1-2). 23–35. 17 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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