Adrià Pérez

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Intrinsically Disordered

Top Venues

J. Chem. Inf. Model.

Publications

Pablo Herrera-Nieto, Adrià Pérez, Gianni De Fabritiis
Binding-and-folding recognition of an intrinsically disordered protein using online learning molecular dynamics. CoRR (2023)
Francesc Sabanés Zariquiey, Adrià Pérez, Maciej Majewski, Emilio Gallicchio, Gianni De Fabritiis
Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series. J. Chem. Inf. Model. 63 (8) (2023)
Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas E. Charron, Toni Giorgino, Brooke E. Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis
Machine Learning Coarse-Grained Potentials of Protein Thermodynamics. CoRR (2022)
Stefan Doerr, Maciej Majewski, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noé, Toni Giorgino, Gianni De Fabritiis
TorchMD: A deep learning framework for molecular simulations. CoRR (2020)
Pablo Herrera-Nieto, Adrià Pérez, Gianni De Fabritiis
Small Molecule Modulation of Intrinsically Disordered Proteins Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 60 (10) (2020)