John B. O. Mitchell

7.7k citations

124 papers · 5.8k indexed · 3 hit papers · h-index 39

Impact in

Computational Theory and Mathematics top 0.1%
- Computational Drug Discovery Methods
Physical and Theoretical Chemistry top 0.5%
- Crystallography and molecular interactions

Papers in

Computational Theory and Mathematics 47
- Computational Drug Discovery Methods 47
Physical and Theoretical Chemistry 17
- Crystallography and molecular interactions 12

Co-authors: Pedro J. Ballester Janet M. Thornton Sarah L. Price David Scott Palmer Robert C. Glen Florian Nigsch James L. McDonagh Tanja van Mourik
Journals: Journal of Chemical Information and Modeling (10 papers)Journal of Molecular Biology (8 papers)BMC Bioinformatics (8 papers)Physical review. E (8 papers)Journal of Cheminformatics (7 papers)
Partner nations: United Kingdom United States Serbia

In The Last Decade

John B. O. Mitchell

124 papers receiving 5.6k citations

Hit Papers

align trajectories log scale

A review of methods for the calculation of solution free energies and the modelling of systems in solution 2015 · 406 citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2015 Physical Chemistry Chemical Physics
2014 Wiley Interdisciplinary Reviews Computational Molecular Science
2010 Bioinformatics

Peers

Replace Chuanjie Wu with:

Chuanjie Wu United States

Sereina Riniker Switzerland

Tai‐Sung Lee United States

Olgun Guvench United States

Kenno Vanommeslaeghe United States

Edward Harder United States

Yingkai Zhang United States

Francesco Luigi Gervasio United Kingdom

Jonathan W. Essex United Kingdom

Elizabeth Hatcher United States

John B. O. Mitchell relative to Chuanjie Wu United States Chuanjie Wu's profile →

Citations per field

00.5×1.7×

Chuanjie Wu · 1×

×1.7 2k/1k

CTM

×1.2 659/560

PTC

×1.2 785/629

SPECT

×0.8 3k/4k

MB

×1.5 2k/1k

MC

Citations per year

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Countries citing papers authored by John B. O. Mitchell

Since Specialization

Citations

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

Fields of papers citing papers by John B. O. Mitchell

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by John B. O. Mitchell. 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 John B. O. Mitchell. The network helps show where John B. O. Mitchell may publish in the future.

Co-authorship network

The 25 scholars most cited alongside John B. O. Mitchell, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with John B. O. Mitchell Line = papers co-authored together John B. O. Mitchell links everyone, so they are left out of the graph.

All Works

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

20 of 20 papers shown

#	Work
1	Allosteric activation unveils protein-mass modulation of ATP phosphoribosyltransferase product release Communications Chemistry ·Jony Mainaly, John B. O. Mitchell, Rafael G. da Silva	2024	1
2	Percolation in random graphs with higher-order clustering Physical review. E ·Jana Augustínová, V. Anne Smith, John B. O. Mitchell, Simon Dobson	2021	10
3	Three machine learning models for the 2019 Solubility Challenge ADMET & DMPK ·John B. O. Mitchell	2020	11
4	Can human experts predict solubility better than computers? Journal of Cheminformatics ·Samuel Boobier, Anne Osbourn, John B. O. Mitchell	2017	51
5	Enzyme function and its evolution Current Opinion in Structural Biology ·John B. O. Mitchell	2017	16
6	A Random Forest Model for Predicting Allosteric and Functional Sites on Proteins Molecular Informatics ·Andrey Chernov, Nicholas J. Westwood, P. Brear, 博刈込, Lazaros Mavridis, John B. O. Mitchell	2016	28
7	The Parzen Window method: In terms of two vectors and one matrix Pattern Recognition Letters ·Hamse Y. Mussa, John B. O. Mitchell, Avid M. Afzal	2015	4
8	The Natural History of Biocatalytic Mechanisms PLoS Computational Biology ·Neetika Nath, John B. O. Mitchell, Gustavo Caetano‐Anollés	2014	28
9	From sequence to enzyme mechanism using multi-label machine learning BMC Bioinformatics ·周楠華, John B. O. Mitchell	2014	22
10	Full “Laplacianised” posterior naive Bayesian algorithm Journal of Cheminformatics ·Hamse Y. Mussa, John B. O. Mitchell, Robert C. Glen	2013	14
11	Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function PLoS Computational Biology ·Daniel E. Almonacid, Nageswara Rao R, John B. O. Mitchell, Patricia C. Babbitt	2010	33
12	Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction Chemistry Central Journal ·Noel M. O’Boyle, David Scott Palmer, Florian Nigsch, John B. O. Mitchell	2008	30
13	Toxicological relationships between proteins obtained from protein target predictions of large toxicity databases Toxicology and Applied Pharmacology ·Florian Nigsch, John B. O. Mitchell	2008	9
14	Communication and re-use of chemical information in bioscience BMC Bioinformatics ·Peter Murray‐Rust, John B. O. Mitchell, Henry S. Rzepa	2005	13
15	Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes Bioinformatics ·Samuel Lianto, John B. O. Mitchell	2003	79
16	D‐amino acid residues in peptides and proteins Proteins Structure Function and Bioinformatics ·John B. O. Mitchell, James M. Smith	2003	48
17	Can we predict lattice energy from molecular structure? Acta Crystallographica Section B Structural Science ·Carole Ouvrard, John B. O. Mitchell	2003	59
18	Fuzzy Clustering Networks : Design Criteria for Approximation and Prediction IEICE Transactions on Information and Systems ·John B. O. Mitchell, Shigeo Abe	1996	2
19	Protein Recognition of Adenylate: An Example of a Fuzzy Recognition Template Journal of Molecular Biology ·Stuart Moodie, John B. O. Mitchell, Janet M. Thornton	1996	108
20	Protein structures and complexes: what they reveal about the interactions that stabilize them Philosophical Transactions of the Royal Society of London Series A Physical and Engineering Sciences ·Janet M. Thornton, Malcolm W. MacArthur, Ariel Buchinger, D. T. Jones, John B. O. Mitchell, A Bilico, Sarah L. Price, Marketa Zvelebil	1993	12

About John B. O. Mitchell

John B. O. Mitchell is a scholar working on Computational Theory and Mathematics, Physical and Theoretical Chemistry, Spectroscopy, Molecular Biology and Materials Chemistry, having authored 124 papers that have together received 5.8k indexed citations. Recurring topics across this work include Computational Drug Discovery Methods (47 papers), Protein Structure and Dynamics (40 papers), Enzyme Structure and Function (17 papers), Analytical Chemistry and Chromatography (14 papers), Crystallization and Solubility Studies (12 papers), Crystallography and molecular interactions (12 papers), RNA and protein synthesis mechanisms (9 papers) and Machine Learning in Bioinformatics (7 papers). The work is most often cited by research in Computational Theory and Mathematics (2.4k citations), Physical and Theoretical Chemistry (659 citations), Spectroscopy (785 citations), Molecular Biology (3.1k citations) and Materials Chemistry (1.8k citations). John B. O. Mitchell has collaborated with scholars based in United Kingdom, United States and Serbia. Frequent co-authors include Pedro J. Ballester, Janet M. Thornton, Sarah L. Price, David Scott Palmer, Robert C. Glen, Florian Nigsch, James L. McDonagh, Tanja van Mourik, Noel M. O’Boyle and Gemma L. Holliday. Their work appears in journals such as Journal of Chemical Information and Modeling, Journal of Molecular Biology, BMC Bioinformatics, Physical review. E and Journal of Cheminformatics.

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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