Enhanced Binding Site Identification in Protein–Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach

Enhanced Binding Site Identification in Protein–Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach Full article

Journal

Journal of the American Chemical Society
ISSN: 0002-7863

Output data

Year: 2025, Volume: 147, Number: 16, Pages: 13677–13687 Pages count : DOI: 10.1021/jacs.5c01274

Authors

Kolokolov Mikhail ^1,2 , Sannikova Natalya ^1,2 , Dementev Sergei ^1,2 , Podarov Roman ^1,2 , Zhdanova Kseniya ³ , Bragina Natal’ya ³ , Chubarov Alexey ⁴ , Fedin Matvey ^1,2 , Krumkacheva Olesya ^1,2

Affiliations

1	EPR Laboratory, International Tomography Center SB RAS, 3 Institutskaya Street, Novosibirsk 630090, Russia
2	Physics Department, Novosibirsk State University, 1 Pirogova Street, Novosibirsk 630090, Russia
3	Institute of Fine Chemical Technology, MIREA−Russian Technological University, 78 Vernadsky Avenue, Moscow 119454, Russia
4	Department of Physics, Free University of Berlin, Arnimallee 14, Berlin 14195, Germany

Kolokolov M. , Sannikova N. , Dementev S. , Podarov R. , Zhdanova K. , Bragina N. , Chubarov A. , Fedin M. , Krumkacheva O.
Enhanced Binding Site Identification in Protein–Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach
Journal of the American Chemical Society. 2025. V.147. N16. P.13677–13687. DOI: 10.1021/jacs.5c01274 OpenAlex

Published online:

Apr 11, 2025

OpenAlex:

W4409365616

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