Konstantin I. Popov

According to our database, Konstantin I. Popov authored at least 5 papers between 2016 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

STOPLIGHT: A Hit Scoring Calculator.

James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I. Popov, Timothy M. Willson, Eugene N. Muratov, Alexander Tropsha

J. Chem. Inf. Model., 2024

BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening.

Michael Brocidiacono, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha

J. Chem. Inf. Model., 2024

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search.

Kathryn E. Kirchoff, James Wellnitz, Joshua E. Hochuli, Travis Maxfield, Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha

Proceedings of the Advances in Information Retrieval, 2024

2019

Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations.

Nicholas I. Brodie, Konstantin I. Popov, Evgeniy V. Petrotchenko, Nikolay V. Dokholyan, Christoph H. Borchers

PLoS Comput. Biol., 2019

2016

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.

Regina Politi, Marino Convertino, Konstantin I. Popov, Nikolay V. Dokholyan, Alexander Tropsha

J. Chem. Inf. Model., 2016