Blind protein structure prediction using accelerated free-energy simulationsAlberto PerezJoseph A. Morroneet al.2016Science Advances
Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMXJoseph A. MorroneAlberto Perezet al.2017JCTC
Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular DynamicsJoseph A. MorroneAlberto Perezet al.2017JCTC
Accelerating physical simulations of proteins by leveraging external knowledgeAlberto PerezJoseph A. Morroneet al.2017WIREs Computational Molecular Science