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Molecular Informatics
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October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries
Konstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Molecular Microbiology
|
December 14, 2020
The assembly of β-barrel membrane proteins by BAM and SAM
Karl Lundquist, Evan Billings, Maxine Bi, et al.
Research Square
|
June 4, 2026
Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye Molecules
James Wellnitz, Travis Maxfield, Matthew Hart, et al.
Journal of Cheminformatics
|
January 17, 2025
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening
James Wellnitz, Sankalp Jain, Joshua E Hochuli, et al.
Advances in Information Retrieval : ... European Conference on IR Research, ECIR ... Proceedings. European Conference on IR Research
|
April 8, 2024
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search
Kathryn E Kirchoff, James Wellnitz, Joshua E Hochuli, et al.
Pharmaceuticals (Basel, Switzerland)
|
March 28, 2024
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity
Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, et al.
Journal of Chemical Information and Modeling
|
May 20, 2024
STOPLIGHT: A Hit Scoring Calculator
James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, et al.
Toxics
|
November 26, 2024
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, et al.
Biorxiv : the Preprint Server for Biology
|
July 19, 2024
Heli-SMACC: Helicase-targeting SMAll Molecule Compound Collection
Holli-Joi Martin, Mohammad A Hossain, James Wellnitz, et al.
Antiviral Research
|
May 2, 2025
Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research
Holli-Joi Martin, Mohammad Anwar Hossain, James Wellnitz, et al.
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Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Molecular Informatics
|
October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries
Konstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Molecular Microbiology
|
December 14, 2020
The assembly of β-barrel membrane proteins by BAM and SAM
Karl Lundquist, Evan Billings, Maxine Bi, et al.
Research Square
|
June 4, 2026
Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye Molecules
James Wellnitz, Travis Maxfield, Matthew Hart, et al.
Journal of Cheminformatics
|
January 17, 2025
One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening
James Wellnitz, Sankalp Jain, Joshua E Hochuli, et al.
Advances in Information Retrieval : ... European Conference on IR Research, ECIR ... Proceedings. European Conference on IR Research
|
April 8, 2024
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search
Kathryn E Kirchoff, James Wellnitz, Joshua E Hochuli, et al.
Pharmaceuticals (Basel, Switzerland)
|
March 28, 2024
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity
Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, et al.
Journal of Chemical Information and Modeling
|
May 20, 2024
STOPLIGHT: A Hit Scoring Calculator
James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, et al.
Toxics
|
November 26, 2024
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, et al.
Biorxiv : the Preprint Server for Biology
|
July 19, 2024
Heli-SMACC: Helicase-targeting SMAll Molecule Compound Collection
Holli-Joi Martin, Mohammad A Hossain, James Wellnitz, et al.
Antiviral Research
|
May 2, 2025
Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research
Holli-Joi Martin, Mohammad Anwar Hossain, James Wellnitz, et al.
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