Decipher the Mechanisms of Protein Conformational Changes Induced by Nucleotide Binding through Free-Energy Landscape Analysis: ATP Binding to Hsp70. - Adrien Nicolaï; Patrice Delarue; Patrick Senet (PLoS Comput. Biol., 2013)

Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry. - Riccardo Petraglia; Adrien Nicolaï; Matthew D. Wodrich; Michele Ceriotti; Clémence Corminboeuf (J. Comput. Chem., 2016)