Wenbo Yu

Also affiliated with Imperial College London

Computer ScienceBiochemistry, Genetics and Molecular BiologyChemistryMaterials Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 21 papers. Top paper: “Structure of the cell-binding component of the Clostridium difficile binary toxin reveals a di-heptamer macromolecular assembly”.

Structure of the cell-binding component of the Clostridium difficile binary toxin reveals a di-heptamer macromolecular assembly

Proceedings of the National Academy of Sciences(2020)10.1073/pnas.1919490117

N/A

1.1DataRank · unranked

37 citations

Raquel Godoy‐Ruiz, Kaylin A. Adipietro, Christopher Peralta, Danya Ben-Hail, Kristen M. Varney +20 more

Small molecules inhibitors of the heterogeneous ribonuclear protein A18 (hnRNP A18): a regulator of protein translation and an immune checkpoint

Nucleic Acids Research(2020)10.1093/nar/gkaa1254

N/A

0DataRank · unranked

17 citations

Katherine M. Coburn, Wenbo Yu, Gerald M. Wilson, Elmar Nurmemmedov, Santosh Kesari +5 more

The SKI complex is a broad-spectrum, host-directed antiviral drug target for coronaviruses, influenza, and filoviruses

Proceedings of the National Academy of Sciences(2020)10.1073/pnas.2012939117

N/A

0DataRank · unranked

36 citations

Lauren Baracco, Chloe Keller, Krystal Matthews, Marisa E. McGrath, James Logue +9 more

Rapid and accurate estimation of protein–ligand relative binding affinities using site-identification by ligand competitive saturation

Chemical Science(2021)10.1039/d1sc01781k

N/A

0DataRank · unranked

51 citations

Anthony Hazel, Vincent D. Ustach, Sunhwan Jo, Wenbo Yu, Alexander D. MacKerell +1 more

Application of site-identification by ligand competitive saturation in computer-aided drug design

New Journal of Chemistry(2021)10.1039/d1nj04028f

N/A

0DataRank · unranked

26 citations

Anthony Hazel, Wenbo Yu, Sunhwan Jo, Alexander D. MacKerell, Himanshu Goel

Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS)

Molecules(2021)10.3390/molecules26020381

N/A

0DataRank · unranked

11 citations

Wenbo Yu, Darex J. Vera Rodríguez, Kristen M. Varney, Alexander D. MacKerell, David J. Weber +1 more

Development of CHARMM Additive Potential Energy Parameters for α-Methyl Amino Acids

The Journal of Physical Chemistry B(2021)10.1021/acs.jpcb.1c07202

N/A

0DataRank · unranked

1 citations

Wenbo Yu, Asaminew H. Aytenfisu, Jude Tunyi, Richard M. Venable, Alexander D. MacKerell +2 more

Computer-Aided Drug Design: An Update

Methods in molecular biology(2022)10.1007/978-1-0716-2855-3_7

N/A

0DataRank · unranked

18 citations

David J. Weber, Alexander D. MacKerell, Wenbo Yu

Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leads

RSC Medicinal Chemistry(2022)10.1039/d2md00095d

N/A

0DataRank · unranked

16 citations

Christopher C. Goodis, Nathan G. Bowen, Wenbo Yu, Gregory E.A. Vickers, Paul T. Wilder +3 more

hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

Chemistry(2022)10.3390/chemistry4030045

N/A

0DataRank · unranked

13 citations

Wenbo Yu, Alexander D. MacKerell, Himanshu Goel

hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

Preprints.org(2022)10.20944/preprints202205.0255.v1

N/A

0DataRank · unranked

4 citations

Wenbo Yu, Alexander D. MacKerell, Himanshu Goel

Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum α-Glucosidase I with Anti-SARS-CoV-2 Activity

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.2c01750

N/A

0DataRank · unranked

24 citations

Evelyn J. Franco, Ana C. Rojas, Kaley C. Hanrahan, A. V. Kolesnikov, Wenbo Yu +7 more

Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00232

N/A

0DataRank · unranked

12 citations

David J. Weber, Alexander D. MacKerell, Wenbo Yu

An Integrated Covalent Drug Design Workflow using Site-Identification by Ligand Competitive Saturation

ChemRxiv(2023)10.26434/chemrxiv-2023-sc37c

N/A

0DataRank · unranked

0 citations

David J. Weber, Alexander D. MacKerell, Wenbo Yu

Revised 4-Point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJ

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c00966

N/A

0DataRank · unranked

13 citations

Wenbo Yu, Alexander D. MacKerell, Xiaojing Teng

Detection of Putative Ligand Dissociation Pathways in Proteins Using Site-Identification by Ligand Competitive Saturation

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01814

N/A

0DataRank · unranked

4 citations

David J. Weber, Alexander D. MacKerell, Wenbo Yu

Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors

Biomolecules(2025)10.3390/biom15091326

N/A

0DataRank · unranked

1 citations

Alexander D. MacKerell, David J. Weber, Jean‐Pierre Raufman, Wenbo Yu

Increasing the Accuracy and Robustness of the CHARMM General Force Field with an Expanded Training Set

ChemRxiv(2025)10.26434/chemrxiv-2025-zkg2q

N/A

0DataRank · unranked

1 citations

Anmol Kumar, Jean‐Christophe Lambry, Jihyeon Lee, Suliman Sharif, Wenbo Yu +3 more

High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation

ChemRxiv(2025)10.26434/chemrxiv-2025-5bc2t

N/A

0DataRank · unranked

0 citations

Shashi Kumar, Mingtian Zhao, David J. Weber, Alexander D. MacKerell, Wenbo Yu

Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots)

Biochimica et Biophysica Acta (BBA) - General Subjects(2020)10.1016/j.bbagen.2020.129519

N/A

0DataRank · unranked

69 citations

Sunhwan Jo, Sirish Kaushik Lakkaraju, Christoffer Lind, Wenbo Yu, Alexander D. MacKerell

High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation

ChemRxiv(2025)10.26434/chemrxiv-2025-5bc2t-v2

N/A

0DataRank · unranked

0 citations

Shashi Kumar, Mingtian Zhao, David J. Weber, Alexander D. MacKerell, Wenbo Yu