@article{Bravo-Moraga2024,

title = {Understanding the Differences of Danusertib’s Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations},

author = {Felipe Bravo-Moraga and Mauricio Bedoya and Ariela Vergara-Jaque and Jans Alzate-Morales},

doi = {10.1021/acs.jcim.4c00387},

issn = {1549-960X},

year  = {2024},

date = {2024-06-24},

journal = {J. Chem. Inf. Model.},

volume = {64},

number = {12},

pages = {4759--4772},

publisher = {American Chemical Society (ACS)},

keywords = {},

pubstate = {published},

tppubtype = {article}

}