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ORCIDKonstantin I. Popov
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2020 – today
- 2024
[j4]Michael Brocidiacono
, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha:
BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. J. Chem. Inf. Model. 64(7): 2488-2495 (2024)- [j3]James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov, Timothy M. Willson, Eugene N. Muratov, Alexander Tropsha:
STOPLIGHT: A Hit Scoring Calculator. J. Chem. Inf. Model. 64(11): 4387-4391 (2024) - [c1]Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha:
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. ECIR (2) 2024: 34-49 - [i1]Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha:
Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search. CoRR abs/2402.07970 (2024)
2010 – 2019
- 2019
- [j2]Nicholas I. Brodie, Konstantin I. Popov, Evgeniy V. Petrotchenko, Nikolay V. Dokholyan, Christoph H. Borchers:
Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations. PLoS Comput. Biol. 15(3) (2019) - 2016
- [j1]Regina Politi, Marino Convertino, Konstantin I. Popov, Nikolay V. Dokholyan, Alexander Tropsha:
Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise. J. Chem. Inf. Model. 56(6): 1032-1041 (2016)
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