Andrew Dalke

72.4k total citations · 2 hit papers
13 papers, 56.0k citations indexed

About

Andrew Dalke is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Andrew Dalke has authored 13 papers receiving a total of 56.0k indexed citations (citations by other indexed papers that have themselves been cited), including 11 papers in Molecular Biology, 5 papers in Computational Theory and Mathematics and 5 papers in Materials Chemistry. Recurrent topics in Andrew Dalke's work include Protein Structure and Dynamics (6 papers), Computational Drug Discovery Methods (5 papers) and Metabolomics and Mass Spectrometry Studies (3 papers). Andrew Dalke is often cited by papers focused on Protein Structure and Dynamics (6 papers), Computational Drug Discovery Methods (5 papers) and Metabolomics and Mass Spectrometry Studies (3 papers). Andrew Dalke collaborates with scholars based in United States, United Kingdom and Sweden. Andrew Dalke's co-authors include Klaus Schulten, William Humphrey, Brad Chapman, Cymon J. Cox, Thomas Hamelryck, Bartek Wilczyński, Iddo Friedberg, Michiel de Hoon, Peter Cock and Tiago Antão and has published in prestigious journals such as Bioinformatics, Computer Physics Communications and Journal of Chemical Information and Modeling.

In The Last Decade

Andrew Dalke

13 papers receiving 55.5k 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.

VMD: Visual molecular dynamics

1996 51.9k citations William Humphrey, Andrew Dalke et al. Journal of Molecular Graphics profile →
Biopython: freely available Python tools for computational molecular biology and bioinformatics

2009 3.5k citations Peter Cock, Tiago Antão et al. Bioinformatics profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Andrew Dalke United States	9	26.7k	13.0k	7.5k	5.9k	5.1k	13	56.0k
William Humphrey United States	21	24.5k 0.9×	12.8k 1.0×	7.5k 1.0×	5.9k 1.0×	5.2k 1.0×	39	53.5k
David van der Spoel Sweden	57	31.8k 1.2×	12.3k 0.9×	6.9k 0.9×	7.3k 1.2×	10.4k 2.0×	168	61.7k
Erik Lindahl Sweden	54	40.9k 1.5×	12.0k 0.9×	7.4k 1.0×	7.5k 1.3×	9.1k 1.8×	197	71.6k
Kenneth M. Merz United States	73	23.0k 0.9×	8.7k 0.7×	6.7k 0.9×	2.4k 0.4×	8.0k 1.6×	374	41.5k
Tom Darden United States	28	33.8k 1.3×	9.7k 0.7×	5.8k 0.8×	5.5k 0.9×	8.1k 1.6×	49	55.7k
Lee G. Pedersen United States	43	29.2k 1.1×	8.7k 0.7×	5.7k 0.8×	5.2k 0.9×	7.8k 1.5×	222	50.5k
Julian Tirado‐Rives United States	46	12.9k 0.5×	7.5k 0.6×	5.2k 0.7×	3.9k 0.7×	6.1k 1.2×	100	31.2k
Berk Hess Sweden	42	45.1k 1.7×	15.0k 1.1×	9.9k 1.3×	9.2k 1.6×	11.5k 2.2×	119	83.5k
Jeffry D. Madura United States	37	24.2k 0.9×	8.3k 0.6×	4.6k 0.6×	5.5k 0.9×	9.7k 1.9×	127	43.4k
Jayaraman Chandrasekhar India	44	21.9k 0.8×	9.2k 0.7×	9.1k 1.2×	4.5k 0.8×	11.8k 2.3×	181	47.2k

Countries citing papers authored by Andrew Dalke

Since Specialization

Citations

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

Fields of papers citing papers by Andrew Dalke

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Andrew Dalke. 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 Andrew Dalke. The network helps show where Andrew Dalke may publish in the future.

Co-authorship network of co-authors of Andrew Dalke

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

All Works

Sort: Min cites: Since: Top N: Style:

13 of 13 papers shown

1.

Dalke, Andrew. (2020). Correction to: The chemfp project. Journal of Cheminformatics. 12(1). 1 indexed citations

2.

Dalke, Andrew. (2019). The chemfp project. Journal of Cheminformatics. 11(1). 76–76. 35 indexed citations

3.

Dalke, Andrew, Jérôme Hert, & Christian Krämer. (2018). mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. Journal of Chemical Information and Modeling. 58(5). 902–910. 73 indexed citations

4.

Dalke, Andrew & Janna Hastings. (2013). FMCS: a novel algorithm for the multiple MCS problem. Journal of Cheminformatics. 5(S1). 31 indexed citations

5.

Dalke, Andrew. (2013). The FPS fingerprint format and chemfp toolkit. Journal of Cheminformatics. 5(S1). 15 indexed citations

6.

Cock, Peter, Tiago Antão, Jeffrey T. Chang, et al.. (2009). Biopython: freely available Python tools for computational molecular biology and bioinformatics. Bioinformatics. 25(11). 1422–1423. 3496 indexed citations breakdown →

7.

Dalke, Andrew. (2008). Parsers for SMILES and SMARTS. Chemistry Central Journal. 2(S1). 1 indexed citations

8.

Zeller, Matthias, J. C. Phillips, Andrew Dalke, et al.. (2002). A visual computing environment for very large scale biomolecular modeling. 3–12. 10 indexed citations

9.

Brunner, Róbert, Christophe Chipot, Andrew Dalke, et al.. (2002). NAMD Version 2.4. 3 indexed citations

10.

Dalke, Andrew & Klaus Schulten. (1997). Using Tcl for molecular visualization and analysis.. PubMed. 85–96. 5 indexed citations

11.

Humphrey, William, Andrew Dalke, & Klaus Schulten. (1996). VMD: Visual molecular dynamics. Journal of Molecular Graphics. 14(1). 33–38. 51916 indexed citations breakdown →

12.

Nelson, Mark T., William Humphrey, Attila Gürsoy, et al.. (1996). NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. 10(4). 251–268. 420 indexed citations

13.

Nelson, Mark T., William Humphrey, Attila Gürsoy, et al.. (1995). MDScope — a visual computing environment for structural biology. Computer Physics Communications. 91(1-3). 111–133. 40 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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