Enamine (Ukraine)

output

20212026

most citedComputationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

44 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

Alexandr A. Marchenko1 · h 1
A. Senenko1 · h 6
H. Bogatyryova1 · h 2
I. Gvozdovskyy1 · h 1
Kostiantyn G. Nazarenko1 · h 1
L. Lisetski1 · h 4
M. Vovk1 · h 11
N. Katsonis1 · h 36
O. Kapitanchuk1 · h 6
O. Lavrentovich1 · h 70
O. Samoilov1 · h 1
S. Ryabukhin1 · h 3

collaborating institutions

Institute of Organic ChemistryPL2 papers
Institute of PhysicsPL2 papers
Bogolyubov Institute for Theoretical PhysicsUA1 paper
Bukovinian State Medical UniversityUA1 paper
Centre National de la Recherche ScientifiqueFR1 paper
Chiesi (Italy)IT1 paper
Conservatoire National des Arts et MétiersFR1 paper
FHNW University of Applied Sciences and Arts Northwestern SwitzerlandCH1 paper
Institute for Scintillation MaterialsUA1 paper
Institute of Physical ChemistryPL1 paper
Institut Universitaire de FranceFR1 paper
Kent State UniversityUS1 paper

Showing 2021Show all

1 paper · 1 filter

physics.chem-ph2021★ 44 cited

Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

L. El Khoury, Z. Jing, A. Cuzzolin +32

We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M $^{p r o}$ ) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$μ…