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

LEPŠÍK, M., AJANI, H., HALDAR, S., FANFRLÍK, J., HOBZA, P. 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.