Ian D. Wall

2.8k total citations · 1 hit paper
26 papers, 1.9k citations indexed

About

Ian D. Wall is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Ian D. Wall has authored 26 papers receiving a total of 1.9k indexed citations (citations by other indexed papers that have themselves been cited), including 25 papers in Molecular Biology, 10 papers in Computational Theory and Mathematics and 7 papers in Materials Chemistry. Recurrent topics in Ian D. Wall's work include Protein Structure and Dynamics (12 papers), Computational Drug Discovery Methods (10 papers) and Enzyme Structure and Function (6 papers). Ian D. Wall is often cited by papers focused on Protein Structure and Dynamics (12 papers), Computational Drug Discovery Methods (10 papers) and Enzyme Structure and Function (6 papers). Ian D. Wall collaborates with scholars based in United Kingdom, United States and Italy. Ian D. Wall's co-authors include James M. Woolven, Mika Lindvall, Simon F. Semus, Martha S. Head, C. Webster Andrews, Gregory L. Warren, Brian Clarke, Catherine E. Peishoff, Giovanna Tedesco and Stefan Senger and has published in prestigious journals such as The Journal of Chemical Physics, Bioinformatics and Journal of Medicinal Chemistry.

In The Last Decade

Ian D. Wall

26 papers receiving 1.8k 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.

A Critical Assessment of Docking Programs and Scoring Functions

2005 1.3k citations Ian D. Wall, James M. Woolven et al. Journal of Medicinal Chemistry profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Ian D. Wall United Kingdom	14	1.4k	1.0k	330	280	188	26	1.9k
Gregory Sliwoski United States	11	1.1k 0.8×	793 0.8×	296 0.9×	199 0.7×	182 1.0×	17	1.9k
Oliver Korb United Kingdom	17	1.4k 1.0×	922 0.9×	461 1.4×	285 1.0×	235 1.3×	34	2.1k
Erin S. D. Bolstad United States	11	1.3k 1.0×	942 0.9×	329 1.0×	303 1.1×	309 1.6×	15	2.3k
Allison K. Doak United States	14	1.1k 0.8×	813 0.8×	251 0.8×	177 0.6×	208 1.1×	14	1.8k
Giovanna Tedesco Italy	12	1.1k 0.8×	891 0.9×	386 1.2×	218 0.8×	171 0.9×	15	1.6k
Trent E. Balius United States	19	1.8k 1.3×	1.2k 1.2×	389 1.2×	393 1.4×	284 1.5×	24	2.5k
Kai Zhu United States	18	1.5k 1.1×	622 0.6×	454 1.4×	260 0.9×	182 1.0×	29	2.2k
Brian Y. Feng United States	11	1.2k 0.9×	599 0.6×	322 1.0×	157 0.6×	212 1.1×	18	1.9k
Jérémy Besnard United Kingdom	6	863 0.6×	925 0.9×	297 0.9×	355 1.3×	176 0.9×	10	1.6k
Edward W. Lowe United States	11	976 0.7×	828 0.8×	314 1.0×	238 0.8×	175 0.9×	24	1.8k

Countries citing papers authored by Ian D. Wall

Since Specialization

Citations

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

Fields of papers citing papers by Ian D. Wall

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Ian D. Wall. 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 Ian D. Wall. The network helps show where Ian D. Wall may publish in the future.

Co-authorship network of co-authors of Ian D. Wall

This figure shows the co-authorship network connecting the top 25 collaborators of Ian D. Wall. A scholar is included among the top collaborators of Ian D. Wall 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 Ian D. Wall. Ian D. Wall 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

Lonsdale, Richard, et al.. (2025). Active Learning FEP: Impact on Performance of AL Protocol and Chemical Diversity. Journal of Chemical Theory and Computation. 21(9). 4867–4883. 1 indexed citations

Bodnarchuk, Michael S., et al.. (2024). Enhancing torsional sampling using fully adaptive simulated tempering. The Journal of Chemical Physics. 160(15). 2 indexed citations

Bradley, Erin K., Chun‐wa Chung, Peter D. Craggs, et al.. (2023). Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe. Journal of Medicinal Chemistry. 66(23). 15728–15749. 6 indexed citations

Ciancetta, Antonella, et al.. (2023). Supporting scripts and data for paper titled "Enhancing Torsional Sampling Using Fully Adaptive Simulated Tempering". Zenodo (CERN European Organization for Nuclear Research). 1 indexed citations

Bodnarchuk, Michael S., et al.. (2022). Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo. Journal of Chemical Theory and Computation. 18(6). 3894–3910. 5 indexed citations

Wan, Shunzhou, Agastya P. Bhati, David W. Wright, et al.. (2022). Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. Journal of Chemical Information and Modeling. 62(10). 2561–2570. 11 indexed citations

Atkinson, Stephen J., Chun‐wa Chung, Paola Grandi, et al.. (2021). Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit. Journal of Medicinal Chemistry. 64(15). 10806–10833. 33 indexed citations

Bodnarchuk, Michael S., et al.. (2021). Sensitivity of Binding Free Energy Calculations to Initial Protein Crystal Structure. Journal of Chemical Theory and Computation. 17(3). 1806–1821. 17 indexed citations

Borthwick, Alan D., Carlos Alemparte, Ian D. Wall, et al.. (2020). Mycobacterium tuberculosis Decaprenylphosphoryl-β-d-ribose Oxidase Inhibitors: Expeditious Reconstruction of Suboptimal Hits into a Series with Potent in Vivo Activity. Journal of Medicinal Chemistry. 63(5). 2557–2576. 28 indexed citations

10.

Thorpe, James H., Ian D. Wall, Robert H. Sinnamon, Amy Taylor, & Robert A. Stavenger. (2020). Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii. Acta Crystallographica Section F Structural Biology Communications. 76(1). 40–46. 1 indexed citations

11.

Bodnarchuk, Michael S., Russell Viner, Ian D. Wall, et al.. (2020). ProtoCaller: Robust Automation of Binding Free Energy Calculations. Journal of Chemical Information and Modeling. 60(4). 1917–1921. 17 indexed citations

12.

Wall, Ian D., et al.. (2018). Optimal water networks in protein cavities with GAsol and 3D-RISM. Bioinformatics. 34(11). 1947–1948. 23 indexed citations

13.

Graves, Alan P., Ian D. Wall, James M. Woolven, et al.. (2017). A Perspective on Water Site Prediction Methods for Structure Based Drug Design. Current Topics in Medicinal Chemistry. 17(23). 2599–2616. 9 indexed citations

14.

Deane, Charlotte M., Ian D. Wall, Darren V. S. Green, Brian D. Marsden, & A.R. Bradley. (2017). WONKAandOOMMPPAA: analysis of protein–ligand interaction data to direct structure-based drug design. Acta Crystallographica Section D Structural Biology. 73(3). 279–285. 5 indexed citations

15.

Wan, Shunzhou, Agastya P. Bhati, Stefan J. Zasada, et al.. (2016). Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study. Journal of Chemical Theory and Computation. 13(2). 784–795. 55 indexed citations

16.

Bradley, A.R., Ian D. Wall, F. von Delft, et al.. (2015). WONKA: objective novel complex analysis for ensembles of protein–ligand structures. Journal of Computer-Aided Molecular Design. 29(10). 963–973. 7 indexed citations

17.

Singh, Onkar, Anthony Shillings, Peter D. Craggs, et al.. (2013). Crystal structures of ASK1‐inhibtor complexes provide a platform for structure‐based drug design. Protein Science. 22(8). 1071–1077. 23 indexed citations

18.

Breckels, Lisa M., Ian D. Wall, Frank E. Blaney, & Christopher A. Reynolds. (2011). Modeling GPCR active state conformations: The β₂‐adrenergic receptor. Proteins Structure Function and Bioinformatics. 79(5). 1441–1457. 25 indexed citations

19.

Breckels, Lisa M., Bruck Taddese, Ian D. Wall, & Christopher A. Reynolds. (2009). Bioinformatics and molecular modelling approaches to GPCR oligomerization. Current Opinion in Pharmacology. 10(1). 30–37. 51 indexed citations

20.

Mitchell, William L., Gerard M.P. Giblin, Alan Naylor, et al.. (2008). Pyridine-3-carboxamides as novel CB2 agonists for analgesia. Bioorganic & Medicinal Chemistry Letters. 19(1). 259–263. 20 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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