Publications Peer reviewed articles (2) Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers Author(s): Carolina Estarellas, Salvatore Scaffidi, Giorgio Saladino, Francesca Spyrakis, Lorella Franzoni, Carles Galdeano, Axel Bidon-Chanal, Francesco Luigi Gervasio, F. Javier Luque Published in: The Journal of Physical Chemistry Letters, Issue 10/23, 2019, Page(s) 7333-7339, ISSN 1948-7185 Publisher: American Chemical Society DOI: 10.1021/acs.jpclett.9b02861 Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies Author(s): Rhys Evans, Ladislav Hovan, Gareth A. Tribello, Benjamin P. Cossins, Carolina Estarellas, Francesco L. Gervasio Published in: Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618 Publisher: American Chemical Society DOI: 10.1021/acs.jctc.0c00075 Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
