Probing the Molecular Basis of Aminoacyl‐Adenylate Affinity With Mycobacterium tuberculosis Leucyl‐tRNA Synthetase Employing Molecular Dynamics, Umbrella Sampling Simulations and Site‐Directed Mutagenesis.

Autor: Volynets, Galyna P.^1,2 (AUTHOR) g.p.volynets@gmail.com, Gudzera, Olga I.³ (AUTHOR), Usenko, Mariia O.⁴ (AUTHOR), Gorbatiuk, Oksana B.⁴ (AUTHOR), Bdzhola, Volodymyr G.¹ (AUTHOR), Kotey, Igor M.¹ (AUTHOR), Balanda, Anatoliy O.¹ (AUTHOR), Prykhod'ko, Andrii O.^1,2 (AUTHOR), Lukashov, Sergiy S.¹ (AUTHOR), Chuk, Oleksiy A.⁵ (AUTHOR), Skydanovych, Oleksandra I.³ (AUTHOR), Yaremchuk, Ganna D.³ (AUTHOR), Yarmoluk, Sergiy M.¹ (AUTHOR), Tukalo, Michael A.³ (AUTHOR)

Publikováno v: Journal of Molecular Recognition. Oct2024, p1. 12p. 5 Illustrations.

Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one

Autor: Starosyla, Sergiy A., Volynets, Galyna P., Lukashov, Sergiy S., Gorbatiuk, Oksana B., Golub, Andriy G., Bdzhola, Volodymyr G., Yarmoluk, Sergiy M.

Publikováno v: In Bioorganic & Medicinal Chemistry 15 May 2015 23(10):2489-2497

Probing interactions of aminoacyl-adenylate with Mycobacterium tuberculosis methionyl-tRNA synthetase through in silico site-directed mutagenesis and free energy calculation.

Autor: Volynets, Galyna P., Gudzera, Olga I., Usenko, Mariia O., Gorbatiuk, Oksana B., Yarmoluk, Sergiy M., Tukalo, Michael A.

Publikováno v: Journal of Biomolecular Structure & Dynamics; Aug/Sep2023, Vol. 41 Issue 13, p6450-6458, 9p

Probing interactions of aminoacyl-adenylate with Mycobacterium tuberculosismethionyl-tRNA synthetase through in silicosite-directed mutagenesis and free energy calculation

Autor: Volynets, Galyna P., Gudzera, Olga I., Usenko, Mariia O., Gorbatiuk, Oksana B., Yarmoluk, Sergiy M., Tukalo, Michael A.

Publikováno v: Journal of Biomolecular Structure and Dynamics; September 2023, Vol. 41 Issue: 13 p6450-6458, 9p

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