Timothy M. Willson

University of North Carolina at Chapel Hill

Biochemistry, Genetics and Molecular BiologyMedicineComputer 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 2%percentile

2.2Author DataRank

Indexed papers

3in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 3 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

International Journal of Molecular Sciences(2021)10.3390/ijms22020566

Top 11%

1.9DataRank

Top 11%110 citations

Hassan Al‐Ali, David Andrews, Christopher R. M. Asquith, Alison D. Axtman, Ivan Đikić +25 more

Papers

Driven by 69 papers — median percentile 67. Top paper: “The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification”.

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

International Journal of Molecular Sciences(2021)10.3390/ijms22020566

Top 11%

1.9DataRank

Top 11%110 citations

Hassan Al‐Ali, David Andrews, Christopher R. M. Asquith, Alison D. Axtman, Ivan Đikić +25 more

Orphan Nuclear Receptors Constitutive Androstane Receptor and Pregnane X Receptor Share Xenobiotic and Steroid Ligands

Journal of Biological Chemistry(2000)10.1074/jbc.m001215200

N/A

1.0DataRank · unranked

811 citations

Derek J. Parks, Stacey A. Jones, Randy K. Bledsoe, Thomas G. Consler, Julie B. Stimmel +7 more

Quantifying CDK inhibitor selectivity in live cells

Nature Communications(2020)10.1038/s41467-020-16559-0

N/A

0.713DataRank · unranked

115 citations

James D. Vasta, Cesear Corona, Jennifer Wilkinson, Chad Zimprich, Morgan R. Ingold +12 more

Crowdsourced mapping of unexplored target space of kinase inhibitors

Nature Communications(2021)10.1038/s41467-021-23165-1

N/A

0.675DataRank · unranked

89 citations

Balaguru Ravikumar, Robert J. Allaway, Fang Wan, Sung‐Joon Park, Olexandr Isayev +94 more

Illuminating function of the understudied druggable kinome

Drug Discovery Today(2024)10.1016/j.drudis.2024.103881

N/A

0.669DataRank · unranked

17 citations

Alison D. Axtman, Timothy M. Willson, Michael B. Major, Reid Townsend, Peter K. Sorger +2 more

Crowdsourced mapping extends the target space of kinase inhibitors

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2019.12.31.891812

N/A

0.552DataRank · unranked

11 citations

Balaguru Ravikumar, Robert J. Allaway, Sung‐Joon Park, Fang Wan, Olexandr Isayev +22 more

Host Kinase CSNK2 is a Target for Inhibition of Pathogenic SARS-like β-Coronaviruses

ACS Chemical Biology(2022)10.1021/acschembio.2c00378

N/A

0.505DataRank · unranked

28 citations

Rebekah J. Dickmander, Armin Bayati, Sharon Taft-Benz, Jeffery L. Smith, Carrow I. Wells +12 more

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- a ]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A

ACS Omega(2023)10.1021/acsomega.3c05377

N/A

0.442DataRank · unranked

18 citations

Han Wee Ong, Rebekah J. Dickmander, Jeffery L. Smith, Joshua B. Brown, William C. Tao +5 more

Identification of Dihydropyrazolo[1,5-a]pyrazin-4(5H)-ones as Cyclic Products of β-Amidomethyl Vinyl Sulfone Alphavirus Cysteine Protease Inhibitors

Pharmaceuticals(2024)10.3390/ph17070836

N/A

0.330DataRank · unranked

8 citations

Álvaro F. Magalhães, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Matthew H. Todd, Timothy M. Willson +1 more

AD Informer Set: Chemical tools to facilitate Alzheimer's disease drug discovery

Alzheimer s & Dementia Translational Research & Clinical Interventions(2022)10.1002/trc2.12246

Top 55%

0.303DataRank

Top 55%5 citations

Joel K. Annor‐Gyamfi, Jeffrey Aubé, Shaoyou Chu, Ivie L. Conlon, Kevin J. Frankowski +20 more

Enantioselective Chemical Probe for Chikungunya nsP2 Helicase with Antialphaviral Activity

ACS Infectious Diseases(2025)10.1021/acsinfecdis.5c00351

N/A

0.292DataRank · unranked

6 citations

Hans J. Oh, John D. Sears, Chun‐Hsing Chen, Anand Vala, Shubin Liu +20 more

Dual Inhibition of Mycobacterium tuberculosis and the Host TGFBR1 by an Anilinoquinazoline

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.3c01273

N/A

0.269DataRank · unranked

5 citations

Anja R. Ollodart, Neil Fleck, Nirav Kapadia, Andrew Frando, Vishant Mahendra Boradia +6 more

Species-Dependent Metabolism of a Covalent nsP2 Protease Inhibitor with In Vivo Antialphaviral Activity

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c00825

N/A

0.241DataRank · unranked

4 citations

Abigail K. Mayo, Anirban Ghoshal, Sharon Taft-Benz, Elizabeth J. Anderson, Noah L. Morales +7 more

Identification of 4-(6-((2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acids as CSNK2A inhibitors with antiviral activity and improved selectivity over PIM3

Bioorganic & Medicinal Chemistry Letters(2024)10.1016/j.bmcl.2024.129617

N/A

0.241DataRank · unranked

4 citations

Andreas Krämer, Benjamin G. Strickland, Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman +2 more

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

ChemRxiv(2020)10.26434/chemrxiv.12616178

N/A

0.165DataRank · unranked

2 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 more

Strategic Fluorination to Achieve a Potent, Selective, Metabolically Stable, and Orally Bioavailable Inhibitor of CSNK2

Molecules(2024)10.3390/molecules29174158

N/A

0.165DataRank · unranked

2 citations

Xuan Yang, Jeffery L. Smith, Sharon Taft-Benz, Stefanie Howell, Rebekah J. Dickmander +12 more

N -Alkyl Sulfamates as a New Class of nsP2 Cysteine Protease Inhibitors with Broad Spectrum Antialphaviral Activity

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.06.30.662352

N/A

0.104DataRank · unranked

1 citations

John D. Sears, Mohammad Anwar Hossain, Edwin G. Tse, Stefanie Howell, Jane Burdick +10 more

Structural Determinants of the Binding and Activation of Estrogen Receptor α by Phenolic Thieno[2,3‐ d ]pyrimidines

Helvetica Chimica Acta(2023)10.1002/hlca.202300097

N/A

0DataRank · unranked

3 citations

Brian Anderson, John D. Norris, Chad Torrice, Carstyn Joiner, Shubin Liu +6 more

Development of Cell Permeable NanoBRET Probes for the Measurement of PLK1 Target Engagement in Live Cells

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.02.25.529946

N/A

0DataRank · unranked

4 citations

Jeffery L. Smith, Michael Beck, Jennifer Wilkinson, Ani Michaud, James D. Vasta +3 more

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines Toward the Development of an In Vivo Chemical Probe for CSNK2A

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.05.15.540828

N/A

0DataRank · unranked

4 citations

Han Wee Ong, Rebekah J. Dickmander, Jeffery L. Smith, Joshua B. Brown, William C. Tao +5 more

STOPLIGHT: A Hit Scoring Calculator

ChemRxiv(2023)10.26434/chemrxiv-2023-8x112

N/A

0DataRank · unranked

3 citations

Holli‐Joi Martin, Mohammad Alamgir Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov +4 more

Identification of 4-(6-((2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acids as CSNK2A inhibitors with antiviral activity and improved selectivity over PIM3

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.12.04.569845

N/A

0DataRank · unranked

2 citations

Andreas Krämer, Benjamin G. Strickland, Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman +2 more

Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines

ChemRxiv(2023)10.26434/chemrxiv-2023-wrzhc

N/A

0DataRank · unranked

1 citations

Brian Anderson, John D. Norris, Chad Torrice, Carstyn Joiner, Shubin Liu +6 more

Discovery and Optimization of Narrow Spectrum Inhibitors of Tousled Like Kinase 2 (TLK2) Using Quantitative Structure Activity Relationships

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.12.28.573261

N/A

0DataRank · unranked

1 citations

Michael P. East, Tuomo Laitinen, Carla Alamillo‐Ferrer, Erkka Hartikainen, Carrow I. Wells +7 more

Identification of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Proceedings of the National Academy of Sciences(2024)10.1073/pnas.2409166121

N/A

0DataRank · unranked

31 citations

John D. Sears, Tina M. Leisner, P. Brian Hardy, Anirban Ghoshal, Mohammad Anwar Hossain +24 more

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity

Journal of Medicinal Chemistry(2024)10.1021/acs.jmedchem.4c01346

N/A

0DataRank · unranked

28 citations

Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Meganathan Nandakumar, Anand Vala +12 more

A data science roadmap for open science organizations engaged in early-stage drug discovery

Nature Communications(2024)10.1038/s41467-024-49777-x

N/A

0DataRank · unranked

23 citations

Aled Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G. Hulcoop +19 more

More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting β-Coronavirus Replication

Journal of Medicinal Chemistry(2024)10.1021/acs.jmedchem.4c00962

N/A

0DataRank · unranked

18 citations

Xuan Yang, Jeffery L. Smith, Rebekah J. Dickmander, Jason W. Brown, Tammy M. Havener +13 more

STOPLIGHT: A Hit Scoring Calculator

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00412

N/A

0DataRank · unranked

7 citations

Holli‐Joi Martin, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov +4 more

Discovery and optimization of narrow spectrum inhibitors of Tousled like kinase 2 (TLK2) using quantitative structure activity relationships

European Journal of Medicinal Chemistry(2024)10.1016/j.ejmech.2024.116357

N/A

0DataRank · unranked

3 citations

Michael P. East, Tuomo Laitinen, Carla Alamillo‐Ferrer, Erkka Hartikainen, Carrow I. Wells +7 more

Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity

Pharmaceuticals(2024)10.3390/ph17030306

N/A

0DataRank · unranked

4 citations

Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman, James Wellnitz, Konstantin I. Popov +3 more

Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.03.22.586341

N/A

0DataRank · unranked

7 citations

John D. Sears, Tina M. Leisner, P. Brian Hardy, Anirban Ghoshal, Mohammad Anwar Hossain +20 more

Identification of Inhibitors of Chikungunya virus nsP2 ATPase

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.12.02.625520

N/A

0DataRank · unranked

4 citations

J. E. Scott, Ginger R. Smith, Pegah Ghiabi, Elisa Gibson, P. Loppnau +8 more

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Anti-alphavirus Activity

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.06.12.598722

N/A

0DataRank · unranked

2 citations

Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Eric M. Merten, John D. Sears +7 more

More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5-a]pyrimidine Host CSNK2 Inhibitors for Combatting β-Coronavirus Replication

ChemRxiv(2024)10.26434/chemrxiv-2024-h2x2b

N/A

0DataRank · unranked

0 citations

Xuan Yang, Jeffery L. Smith, Rebekah J. Dickmander, Joshua B. Brown, Tammy M. Havener +13 more

Application of Integrated Drug Screening/Kinome Analysis to Identify Inhibitors of Gemcitabine-Resistant Pancreatic Cancer Cell Growth

UNC Libraries(2024)10.17615/jadh-1012

N/A

0DataRank · unranked

0 citations

Laura E. Herring, Alison D. Axtman, Michael P. East, Benjamin Lee, Denis O. Okumu +12 more

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

UNC Libraries(2024)10.17615/0ctx-9b56

N/A

0DataRank · unranked

0 citations

Stephen J. Capuzzi, Yuriy S. Moroz, Olena Savych, Alexander Tropsha, Carrow I. Wells +5 more

Investigation of the Host Kinome Response to Coronavirus Infection Reveals PI3K/mTOR Inhibitors as Betacoronavirus Antivirals

UNC Libraries(2024)10.17615/xvee-qm80

N/A

0DataRank · unranked

0 citations

Yixuan J. Hou, Lee M. Graves, Ralph S. Baric, Emily A. Madden, Izabella N. Castillo +13 more

Structural Chemistry of Helicase Inhibition

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.4c01909

N/A

0DataRank · unranked

24 citations

Timothy M. Willson, Matthieu Schapira, Lakshi Selvaratnam

Identification of Direct-Acting nsP2 Helicase Inhibitors with Antialphaviral Activity

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c00635

N/A

0DataRank · unranked

9 citations

John D. Sears, Kacey M. Talbot, Yuan-Wei Norman Su, Scott Houliston, Mohammad Anwar Hossain +27 more

Structure-guided optimization of small molecules targeting Yck2 as a strategy to combat Candida albicans

Nature Communications(2025)10.1038/s41467-025-57346-z

N/A

0DataRank · unranked

12 citations

Meganathan Nandakumar, Bonnie Yiu, P.J. Stogios, Benjamin G. Strickland, Robert Żarnowski +9 more

A covalent chemical probe for Chikungunya nsP2 cysteine protease with antialphaviral activity and proteome-wide selectivity

Scientific Reports(2025)10.1038/s41598-025-91673-x

N/A

0DataRank · unranked

9 citations

Edwin G. Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric M. Merten, John D. Sears +22 more

Chemoproteomic Profiling of C. albicans for Characterization of Antifungal Kinase Inhibitors

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c00097

N/A

0DataRank · unranked

6 citations

Meganathan Nandakumar, Aurora Cabrera, Bonnie Yiu, Emily Puumala, Zhongle Liu +12 more

Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research

Antiviral Research(2025)10.1016/j.antiviral.2025.106184

N/A

0DataRank · unranked

3 citations

Mohammad Anwar Hossain, James Wellnitz, Enes Kelestemur, Joshua E. Hochuli, Sumera Perveen +5 more

N -Alkyl Sulfamates as a New Class of nsP2 Cysteine Protease Inhibitors with Broad-Spectrum Antialphaviral Activity

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c01802

N/A

0DataRank · unranked

2 citations

John D. Sears, Mohammad Anwar Hossain, Edwin G. Tse, Stefanie Howell, Jane Burdick +10 more

Structure-guided optimization of small molecules targeting the yeast casein kinase, Yck2, as a therapeutic strategy to combat Candida albicans

Research Square(2025)10.21203/rs.3.rs-5524306/v1

N/A

0DataRank · unranked

1 citations

Emily Puumala, Meganathan Nandakumar, Bonnie Yiu, P.J. Stogios, Benjamin G. Strickland +9 more

Chemoproteomic Profiling of C. albicans for Characterization of Anti-fungal Kinase Inhibitors

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.01.10.632200

N/A

0DataRank · unranked

0 citations

Meganathan Nandakumar, Aurora Cabrera, Bonnie Yiu, Emily Puumala, Zhongle Liu +12 more

Species Dependent Metabolism of a Covalent nsP2 Protease Inhibitor with in Vivo Anti-alphaviral Activity

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.01.13.632788

N/A

0DataRank · unranked

0 citations

Abigail K. Mayo, Anirban Ghoshal, Sharon Taft-Benz, Elizabeth J. Anderson, Noah L. Morales +7 more

Structure-activity Relationship for Diarylpyrazoles as Inhibitors of the Fungal Kinase Yck2

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.07.12.664496

N/A

0DataRank · unranked

0 citations

Bonnie Yiu, Ikeer Y. Mancera-Ortiz, P.J. Stogios, Zhongle Liu, Nicole Robbins +5 more

Identification of Spirodioxolane nsP2 Helicase Inhibitors with Antialphaviral Activity

ChemRxiv(2025)10.26434/chemrxiv-2025-mfts7

N/A

0DataRank · unranked

0 citations

John D. Sears, Muthu Bose Ramalingam, Rahman Shah Zaib Saleem, Zachary W. Davis‐Gilbert, Mohammad Anwar Hossain +10 more

Structural Chemistry of Helicase Inhibition

UNC Libraries(2025)10.17615/j68m-aa83

N/A

0DataRank · unranked

0 citations

Timothy M. Willson, Lakshi Selvaratnam, Matthieu Schapira

Identification of spirodioxolane nsP2 helicase inhibitors with antialphaviral activity

RSC Medicinal Chemistry(2025)10.1039/d5md00772k

N/A

0DataRank · unranked

0 citations

John D. Sears, M. Bose, Rahman Shah Zaib Saleem, Zachary W. Davis‐Gilbert, Mohammad Anwar Hossain +10 more

An Enantioselective Chemical Probe for Chikungunya nsP2 Helicase with Antialphaviral Activity

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.04.24.650479

N/A

0DataRank · unranked

1 citations

Hans J. Oh, John D. Sears, Chun‐Hsing Chen, Anand Vala, Shubin Liu +20 more

In Depth Analysis of Kinase Cross Screening Data to Identify CAMKK2 Inhibitory Scaffolds

Molecules(2020)10.3390/molecules25020325

N/A

0DataRank · unranked

37 citations

John W. Scott, Joseph Pilotte, André da Silva Santiago, Christopher G. Langendorf, Jonathan S. Oakhill +7 more

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation

Journal of Medicinal Chemistry(2020)10.1021/acs.jmedchem.0c01174

N/A

0DataRank · unranked

30 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 more

Concise, gram-scale synthesis of furo[2,3-b]pyridines with functional handles for chemoselective cross-coupling

Tetrahedron Letters(2020)10.1016/j.tetlet.2020.152353

N/A

0DataRank · unranked

7 citations

Benjamin J. Eduful, Timothy M. Willson, David H. Drewry, Sean O’Byrne

In depth analysis of kinase cross screening data to identify CAMKK2 inhibitory scaffolds

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.01.08.883009

N/A

0DataRank · unranked

11 citations

John W. Scott, Joseph Pilotte, André de S. Santiago, Christopher G. Langendorf, Jonathan S. Oakhill +7 more

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

ChemRxiv(2020)10.26434/chemrxiv.12616178.v1

N/A

0DataRank · unranked

1 citations

A. Chaikuad, Carrow I. Wells, Safal Shrestha, William J. Zuercher, Julie E. Pickett +10 more

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

ChemRxiv(2020)10.26434/chemrxiv.13484763

N/A

0DataRank · unranked

1 citations

Sean O’Byrne, Louisa Temme, Christopher R. M. Asquith, Yi Liang, Alfredo Picado +18 more

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

ChemRxiv(2020)10.26434/chemrxiv.13484763.v1

N/A

0DataRank · unranked

0 citations

Sean O’Byrne, Louisa Temme, Christopher R. M. Asquith, Yi Liang, Alfredo Picado +18 more

Concise, Gram-Scale Synthesis of Furo[2,3-B]pyridines, with Functional Handles for Chemoselective Cross-Coupling

ChemRxiv(2020)10.26434/chemrxiv.11991204

N/A

0DataRank · unranked

0 citations

Benjamin J. Eduful, Timothy M. Willson, David H. Drewry, Sean O’Byrne

Concise, Gram-Scale Synthesis of Furo[2,3-B]pyridines, with Functional Handles for Chemoselective Cross-Coupling

ChemRxiv(2020)10.26434/chemrxiv.11991204.v1

N/A

0DataRank · unranked

0 citations

Benjamin J. Eduful, Timothy M. Willson, David H. Drewry, Sean O’Byrne

Crystal structure of the PXR–T1317 complex provides a scaffold to examine the potential for receptor antagonism

UNC Libraries(2020)10.17615/1b6k-hx89

N/A

0DataRank · unranked

0 citations

Jon L. Collins, William J. Zuercher, Yu Xue, Matthew R. Redinbo, Esther Y. Chao +1 more

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding

UCL Discovery (University College London)(2021)10.33774/chemrxiv-2021-rzq4n

N/A

0DataRank · unranked

13 citations

Rima Al‐awar, Rommie E. Amaro, C.H. Arrowsmith, Hátylas Azevedo, Robert A. Batey +34 more

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

ChemRxiv(2021)10.26434/chemrxiv.14045072.v1

N/A

0DataRank · unranked

12 citations

Niles Huang, Stephen J. Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz +5 more

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

ChemRxiv(2021)10.26434/chemrxiv.14045072

N/A

0DataRank · unranked

3 citations

Niles Huang, Stephen J. Capuzzi, Dmytro S. Radchenko, Olena Savych, Yurii S. Moroz +5 more

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding

ChemRxiv(2021)10.26434/chemrxiv-2021-rzq4n

N/A

0DataRank · unranked

0 citations

Rima Al‐awar, Rommie E. Amaro, C.H. Arrowsmith, Hátylas Azevedo, Robert A. Batey +34 more

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

Communications Chemistry(2022)10.1038/s42004-022-00733-0

N/A

0DataRank · unranked

106 citations

Niles Huang, Stephen J. Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz +5 more

Development of Cell Permeable NanoBRET Probes for the Measurement of PLK1 Target Engagement in Live Cells

Molecules(2023)10.3390/molecules28072950

N/A

0DataRank · unranked

9 citations

Jeffery L. Smith, Michael Beck, Jennifer Wilkinson, Ani Michaud, James D. Vasta +3 more

Timothy M. Willson

Indexed papers

Top data-sharing exemplar

Papers