Mark McGann

1.8k total citations · 1 hit paper
11 papers, 1.4k citations indexed

About

Mark McGann is a scholar working on Molecular Biology, Computational Theory and Mathematics and Polymers and Plastics. According to data from OpenAlex, Mark McGann has authored 11 papers receiving a total of 1.4k indexed citations (citations by other indexed papers that have themselves been cited), including 5 papers in Molecular Biology, 4 papers in Computational Theory and Mathematics and 4 papers in Polymers and Plastics. Recurrent topics in Mark McGann's work include Computational Drug Discovery Methods (4 papers), Polymer crystallization and properties (4 papers) and Protein Structure and Dynamics (3 papers). Mark McGann is often cited by papers focused on Computational Drug Discovery Methods (4 papers), Polymer crystallization and properties (4 papers) and Protein Structure and Dynamics (3 papers). Mark McGann collaborates with scholars based in United States, United Kingdom and Russia. Mark McGann's co-authors include Anthony Nicholls, Harold R. Almond, Jennifer Grant, Frank K. Brown, Daniel J. Lacks, Istvan Enyedy, Shifan Ma, Yankang Jing and Sándor Vajda and has published in prestigious journals such as Physical Review Letters, The Journal of Chemical Physics and The Journal of Physical Chemistry B.

In The Last Decade

Mark McGann

11 papers receiving 1.3k 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.

FRED Pose Prediction and Virtual Screening Accuracy

2011 587 citations Mark McGann Journal of Chemical Information and Modeling profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Mark McGann United States	7	893	600	303	157	144	11	1.4k
Maria Kontoyianni United States	17	715 0.8×	589 1.0×	306 1.0×	104 0.7×	161 1.1×	34	1.2k
Brian Clarke United Kingdom	3	933 1.0×	862 1.4×	264 0.9×	211 1.3×	160 1.1×	7	1.4k
Shingo Makino Japan	11	949 1.1×	704 1.2×	336 1.1×	164 1.0×	100 0.7×	24	1.3k
Kenneth Borrelli United States	17	898 1.0×	373 0.6×	247 0.8×	147 0.9×	84 0.6×	17	1.3k
Edward W. Lowe United States	11	976 1.1×	828 1.4×	314 1.0×	238 1.5×	175 1.2×	24	1.8k
Sayan Mondal United States	15	1.1k 1.2×	367 0.6×	208 0.7×	144 0.9×	102 0.7×	26	1.6k
Tanja Schulz‐Gasch Switzerland	17	1.2k 1.4×	703 1.2×	268 0.9×	237 1.5×	250 1.7×	27	1.7k
Alfonso T. García‐Sosa Estonia	22	675 0.8×	490 0.8×	287 0.9×	127 0.8×	78 0.5×	54	1.2k
Thompson N. Doman United States	12	831 0.9×	501 0.8×	345 1.1×	153 1.0×	117 0.8×	24	1.5k
Tom Oldfield United Kingdom	6	741 0.8×	431 0.7×	189 0.6×	178 1.1×	106 0.7×	8	1.0k

Countries citing papers authored by Mark McGann

Since Specialization

Citations

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

Fields of papers citing papers by Mark McGann

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Mark McGann

This figure shows the co-authorship network connecting the top 25 collaborators of Mark McGann. A scholar is included among the top collaborators of Mark McGann 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 Mark McGann. Mark McGann 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:

11 of 11 papers shown

1.

Ma, Shifan, et al.. (2022). Use of Solvent Mapping for Characterizing the Binding Site and for Predicting the Inhibition of the Human Ether-á-Go-Go-Related K⁺ Channel. Chemical Research in Toxicology. 35(8). 1359–1369. 1 indexed citations

2.

Ma, Shifan, Mark McGann, & Istvan Enyedy. (2021). The influence of calculated physicochemical properties of compounds on their ADMET profiles. Bioorganic & Medicinal Chemistry Letters. 36. 127825–127825. 6 indexed citations

3.

McGann, Mark, Anthony Nicholls, & Istvan Enyedy. (2015). The statistics of virtual screening and lead optimization. Journal of Computer-Aided Molecular Design. 29(10). 923–936. 13 indexed citations

4.

McGann, Mark. (2012). FRED and HYBRID docking performance on standardized datasets. Journal of Computer-Aided Molecular Design. 26(8). 897–906. 372 indexed citations

5.

McGann, Mark. (2011). FRED Pose Prediction and Virtual Screening Accuracy. Journal of Chemical Information and Modeling. 51(3). 578–596. 587 indexed citations breakdown →

6.

McGann, Mark, Harold R. Almond, Anthony Nicholls, Jennifer Grant, & Frank K. Brown. (2002). Gaussian docking functions. Biopolymers. 68(1). 76–90. 371 indexed citations

7.

McGann, Mark & Daniel J. Lacks. (1999). Chain Length Effects on the Thermodynamic Properties of n-Alkane Crystals. The Journal of Physical Chemistry B. 103(14). 2796–2802. 15 indexed citations

8.

McGann, Mark, et al.. (1999). Elastic Stability Limits of Polyethylene and n-Alkane Crystals from Molecular Simulation. The Journal of Physical Chemistry B. 103(48). 10679–10683. 6 indexed citations

9.

McGann, Mark & Daniel J. Lacks. (1999). Entropically Induced Euler Buckling Instabilities in Polymer Crystals. Physical Review Letters. 82(5). 952–955. 7 indexed citations

10.

McGann, Mark & Daniel J. Lacks. (1998). Monte Carlo simulations of the interlamellar spacing in model n-alkane crystals. The Journal of Chemical Physics. 108(6). 2622–2625. 2 indexed citations

11.

McGann, Mark & Daniel J. Lacks. (1998). Molecular Simulation of Shear Instabilities in Polyethylene and n-Alkane Crystals under Axial Compression. Macromolecules. 31(18). 6356–6361. 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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