Shunzhou Wan

2.0k total citations
50 papers, 1.3k citations indexed

About

Shunzhou Wan is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Shunzhou Wan has authored 50 papers receiving a total of 1.3k indexed citations (citations by other indexed papers that have themselves been cited), including 37 papers in Molecular Biology, 20 papers in Computational Theory and Mathematics and 12 papers in Materials Chemistry. Recurrent topics in Shunzhou Wan's work include Protein Structure and Dynamics (25 papers), Computational Drug Discovery Methods (20 papers) and Machine Learning in Materials Science (9 papers). Shunzhou Wan is often cited by papers focused on Protein Structure and Dynamics (25 papers), Computational Drug Discovery Methods (20 papers) and Machine Learning in Materials Science (9 papers). Shunzhou Wan collaborates with scholars based in United Kingdom, Netherlands and United States. Shunzhou Wan's co-authors include Peter V. Coveney, Agastya P. Bhati, David W. Wright, Darren R. Flower, Stefan J. Zasada, Robert C. Sinclair, Martin Karplus, Roland H. Stote, Charlotte M. Deane and Bernhard Knapp and has published in prestigious journals such as The Journal of Chemical Physics, The Journal of Immunology and Biochemistry.

In The Last Decade

Shunzhou Wan

47 papers receiving 1.3k citations

Peers

Countries citing papers authored by Shunzhou Wan

Since Specialization

Citations

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

Fields of papers citing papers by Shunzhou Wan

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Shunzhou Wan

This figure shows the co-authorship network connecting the top 25 collaborators of Shunzhou Wan. A scholar is included among the top collaborators of Shunzhou Wan 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 Shunzhou Wan. Shunzhou Wan 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

#	Work	Indexed citations
1	Extending quantum computing through subspace, embedding and classical molecular dynamics techniques 2025 ·Digital Discovery ·(unknown), (unknown), (unknown), (unknown), Shunzhou Wan, (unknown), (unknown), (unknown), Peter J. Love, (unknown), Mario Hernández Vera, (unknown), Peter V. Coveney	0
2	To Rely or Not to Rely? Evaluating Interventions for Appropriate Reliance on Large Language Models 2025 ·(unknown), Shunzhou Wan, Ashton Anderson	3
3	TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal 2023 ·Journal of Chemical Information and Modeling ·(unknown), (unknown), Agastya P. Bhati, Shunzhou Wan, Peter V. Coveney	2
4	Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions 2023 ·Journal of Chemical Theory and Computation ·Shunzhou Wan, Agastya P. Bhati, Peter V. Coveney	10
5	The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase 2022 ·Scientific Reports ·Shunzhou Wan, Agastya P. Bhati, David W. Wright, (unknown), Gary Tresadern, Herman van Vlijmen, Peter V. Coveney	5
6	Unilateral axillary adenopathy following COVID-19 vaccination: a multimodality pictorial illustration and review of current guidelines 2021 ·Clinical Radiology ·Adrian Brown, Shah Sweni, (unknown), (unknown), Thomas Wagner, Teresa Szyszko, Shunzhou Wan, Ashley M. Groves, Kefah Mokbel, Anmol Malhotra	18
7	The effect of protein mutations on drug binding suggests ensuing personalised drug selection 2021 ·Scientific Reports ·Shunzhou Wan, Deepak Kumar, Valentin Ilyin, (unknown), (unknown), Alexander Knuth, Peter V. Coveney	10
8	Rapid, accurate, precise and reproducible ligand–protein binding free energy prediction 2020 ·Interface Focus ·Shunzhou Wan, Agastya P. Bhati, Stefan J. Zasada, Peter V. Coveney	99
9	Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors 2020 ·Interface Focus ·Shunzhou Wan, (unknown), (unknown), David W. Wright, Alexander Heifetz, M. Malawski, Andrea Townsend‐Nicholson, Peter V. Coveney	15
10	Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset 2019 ·Advanced Theory and Simulations ·David W. Wright, (unknown), Shunzhou Wan, Christophe Meyer, Herman van Vlijmen, Gary Tresadern, Peter V. Coveney	8
11	The Role of Multiscale Protein Dynamics in Antigen Presentation and T Lymphocyte Recognition 2017 ·Frontiers in Immunology ·(unknown), Shunzhou Wan, Neil Dalchau, Peter V. Coveney	6
12	The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study 2015 ·EBioMedicine ·Tom D. Bunney, Shunzhou Wan, Nethaji Thiyagarajan, Ludovico Sutto, Sarah V. Williams, Paul Ashford, Hans Koss, Margaret A. Knowles, Francesco Luigi Gervasio, Peter V. Coveney, Matilda Katan	59
13	Mechanism of Drug Efficacy Within the EGF Receptor Revealed by Microsecond Molecular Dynamics Simulation 2012 ·Molecular Cancer Therapeutics ·Shunzhou Wan, David W. Wright, Peter V. Coveney	13
14	Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptor 2011 ·Journal of Computational Chemistry ·Shunzhou Wan, Peter V. Coveney	23
15	Rapid and accurate ranking of binding affinities of epidermal growth factor receptor sequences with selected lung cancer drugs 2011 ·Journal of The Royal Society Interface ·Shunzhou Wan, Peter V. Coveney	28
16	T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges 2010 ·PubMed ·Darren R. Flower, Kanchan Phadwal, Isabel Macdonald, Peter V. Coveney, Matthew N Davies, Shunzhou Wan	30
17	A comparative study of the COX‐1 and COX‐2 isozymes bound to lipid membranes 2008 ·Journal of Computational Chemistry ·Shunzhou Wan, Peter V. Coveney	7
18	Molecular Dynamics Simulations 2007 ·Methods in molecular biology ·Shunzhou Wan, Peter V. Coveney, Darren R. Flower	3
19	Toward an atomistic understanding of the immune synapse: Large-scale molecular dynamics simulation of a membrane-embedded TCR–pMHC–CD4 complex 2007 ·Molecular Immunology ·Shunzhou Wan, Darren R. Flower, Peter V. Coveney	44
20	Molecular Basis of Peptide Recognition by the TCR: Affinity Differences Calculated Using Large Scale Computing 2005 ·The Journal of Immunology ·Shunzhou Wan, Peter V. Coveney, Darren R. Flower	29

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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