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0459939 - ÚOCHB 2017 CZ eng A - Abstract
Lepšík, Martin - Ajani, Haresh - Haldar, Susanta - Fanfrlík, Jindřich - Hobza, Pavel
Explicit-solvent effects in protein-ligand binding: Molecular dynamics complements quantum mechanical scoring.
Prague Protein Spring Meeting 2016: Proteins and their Design. Praha: Ústav organické chemie a biochemie AV ČR, 2016. s. 69. ISBN 978-80-86241-55-5.
[Prague Protein Spring Meeting 2016: Proteins and their Design /4./. 05.05.2016-08.05.2016, Praha]
Institutional support: RVO:61388963
Keywords : explicit-solvent molecular dynamics * quantum mechanical methods * noncovalent interactions
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0260098