Open AccessComputational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1,2,3-Dithiazoles
Author(s) -
Mario Prejanò,
Isabella Romeo,
Maria Antonietta La Serra,
Nino Russo,
Tiziana Marino
Publication year - 2021
Publication title -
journal of chemical information and modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.1c01012
Subject(s) - chemistry , docking (animal) , cysteine , covalent bond , combinatorial chemistry , mechanism (biology) , molecule , intermolecular force , molecular dynamics , amino acid residue , computational chemistry , computational biology , stereochemistry , biochemistry , enzyme , biology , peptide sequence , organic chemistry , gene , medicine , philosophy , nursing , epistemology
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