Computation of the mean residence time of water in the hydration shells of biomolecules. - Angel E. García; Lewis Stiller (J. Comput. Chem., 1993)

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors. - Tudor I. Oprea; Angel E. García (J. Comput. Aided Mol. Des., 1996)

Atomic Simulations of Protein Folding, Using the Replica Exchange Algorithm. - Hugh Nymeyer; S. Gnanakaran; Angel E. García (Numerical Computer Methods, Part D, 2004)

Molecular dynamics study of hydration of the protein interior. - Ana Damjanovic; Bertrand García-Moreno E.; Eaton E. Lattman; Angel E. García (Comput. Phys. Commun., 2005)

Characterizing the Folding Transition-State Ensembles in the Energy Landscape of an RNA Tetraloop. - Rafael Giordano Viegas; Murilo Nogueira Sanches; Alan A. Chen; Fernando V. Paulovich; Angel E. García; Vitor B. P. Leite (J. Chem. Inf. Model., 2023)