John B. O. Mitchell

7.8k citations

124 papers · 5.9k · 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

Molecular Biology 61
- Protein Structure and Dynamics 35
- RNA and protein synthesis mechanisms 8
Computational Theory and Mathematics 41
- Computational Drug Discovery Methods 41

Co-authors: Pedro J. Ballester (2 shared papers)Janet M. Thornton (22 shared papers)Sarah L. Price (15 shared papers)David Scott Palmer (10 shared papers)Robert C. Glen (13 shared papers)Florian Nigsch (9 shared papers)James L. McDonagh (6 shared papers)Tanja van Mourik (4 shared papers)
Journals: Journal of Chemical Information and Modeling (10 papers)Journal of Molecular Biology (8 papers)Physical review. E (8 papers)BMC Bioinformatics (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 5.7k citations

John B. O. Mitchell's 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 · 417 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

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-authors

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

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20 of 20 papers shown

Showing the 20 most-cited of 124 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking Bioinformatics ·Pedro J. Ballester, John B. O. Mitchell Hit paper breakdown →	2010	637
2	A review of methods for the calculation of solution free energies and the modelling of systems in solution Physical Chemistry Chemical Physics ·R. Skyner, James L. McDonagh, Colin R. Groom, Tanja van Mourik, John B. O. Mitchell Hit paper breakdown →	2015	417
3	Machine learning methods in chemoinformatics Wiley Interdisciplinary Reviews Computational Molecular Science ·John B. O. Mitchell Hit paper breakdown →	2014	344
4	Random Forest Models To Predict Aqueous Solubility Journal of Chemical Information and Modeling ·David Scott Palmer, Noel M. O’Boyle, Robert C. Glen, John B. O. Mitchell	2006	290
5	Amino/Aromatic Interactions in Proteins: Is the Evidence Stacked Against Hydrogen Bonding? Journal of Molecular Biology ·John B. O. Mitchell, C. Lilian Nandi, Ian K. McDonald, Janet M. Thornton, Sarah L. Price	1994	274
6	Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P Journal of Chemical Information and Modeling ·Laura D. Hughes, David Scott Palmer, Florian Nigsch, John B. O. Mitchell	2008	170
7	Protein folds and functions Structure ·Andrew C.R. Martin, Christine Orengo, E. Gail Hutchinson, Susan R. Jones, Maria Karmirantzou, Roman A. Laskowski, John B. O. Mitchell, Chiara Taroni, Janet M. Thornton	1998	158
8	Melting Point Prediction Employing k-Nearest Neighbor Algorithms and Genetic Parameter Optimization Journal of Chemical Information and Modeling ·Florian Nigsch, Andreas Bender, Bernd N. M. van Buuren, Jos Tissen, Eduard A. Nigsch, John B. O. Mitchell	2006	142
9	Understanding the Functional Roles of Amino Acid Residues in Enzyme Catalysis Journal of Molecular Biology ·Gemma L. Holliday, John B. O. Mitchell, Janet M. Thornton	2009	136
10	BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential Journal of Computational Chemistry ·John B. O. Mitchell, Roman A. Laskowski, Alexander Alex, Janet M. Thornton	1999	123
11	In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window Journal of Chemical Information and Modeling ·Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi, Hamse Y. Mussa, Werner Klaffke, John B. O. Mitchell, Robert C. Glen, Andreas Bender	2013	120
12	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
13	Is Experimental Data Quality the Limiting Factor in Predicting the Aqueous Solubility of Druglike Molecules? Molecular Pharmaceutics ·David Scott Palmer, John B. O. Mitchell	2014	104
14	Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle Molecular Pharmaceutics ·David Scott Palmer, Antonio Llinàs, Iñaki Morao, Graeme M. Day, Jonathan M. Goodman, Robert C. Glen, John B. O. Mitchell	2008	102
15	The nature of the N H…OC hydrogen bond: An intermolecular perturbation theory study of the formamide/formaldehyde complex Journal of Computational Chemistry ·John B. O. Mitchell, Sarah L. Price	1990	91
16	Towards an understanding of the arginine-aspartate interaction Journal of Molecular Biology ·John B. O. Mitchell, Janet M. Thornton, Juswinder Singh, Sarah L. Price	1992	88
17	Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics Journal of Chemical Information and Modeling ·Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell	2008	84
18	First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules Journal of Chemical Theory and Computation ·David Scott Palmer, James L. McDonagh, John B. O. Mitchell, Tanja van Mourik, Maxim V. Fedorov	2012	84
19	Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes Bioinformatics ·Dushyanthan Puvanendrampillai, John B. O. Mitchell	2003	79
20	The Determination of the Crystal Structure of Anhydrous Theophylline by X-ray Powder Diffraction with a Systematic Search Algorithm, Lattice Energy Calculations, and ¹³C and ¹⁵N Solid-State NMR: A Question of Polymorphism in a Given Unit Cell The Journal of Physical Chemistry B ·Elaine D. L. Smith, Robert B. Hammond, Matthew J. Jones, Kevin J. Roberts, John B. O. Mitchell, Sarah L. Price, Robin K. Harris, David C. Apperley, J.C. Cherryman, Robert Docherty	2001	75

About John B. O. Mitchell

John B. O. Mitchell is a scholar working on Molecular Biology, Computational Theory and Mathematics, Materials Chemistry, Spectroscopy and Physical and Theoretical Chemistry, having authored 124 papers that have together received 5.9k indexed citations. Recurring topics across this work include Computational Drug Discovery Methods (41 papers), Protein Structure and Dynamics (35 papers), Enzyme Structure and Function (16 papers), Analytical Chemistry and Chromatography (13 papers), Crystallography and molecular interactions (12 papers), Crystallization and Solubility Studies (12 papers), RNA and protein synthesis mechanisms (8 papers) and Complex Network Analysis Techniques (7 papers). The work is most often cited by research in Computational Theory and Mathematics (2.3k citations), Physical and Theoretical Chemistry (658 citations), Spectroscopy (777 citations), Molecular Biology (2.9k 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 R. Skyner. Their work appears in journals such as Journal of Chemical Information and Modeling, Journal of Molecular Biology, Physical review. E, BMC Bioinformatics 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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John B. O. Mitchell

John B. O. Mitchell's Hit Papers

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

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About John B. O. Mitchell

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