Open AccessQualitative Estimation of Protein–Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations
Author(s) -
Matteo Pavan,
Silvia Menin,
Davide Bassani,
Mattia Sturlese,
Stefano Moro
Publication year - 2022
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.2c00995
Subject(s) - molecular dynamics , chemistry , ligand (biochemistry) , dissociation constant , computational biology , biophysics , computational chemistry , biochemistry , biology , receptor