Explicit-solvent effects in protein-ligand binding: Molecular dynamics complements quantum mechanical scoring

LEPŠÍK, Martin, AJANI, Haresh, HALDAR, Susanta, FANFRLÍK, Jindřich, HOBZA, Pavel. Explicit-solvent effects in protein-ligand binding: Molecular dynamics complements quantum mechanical scoring. In: 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.