Results: 3
Cristina Duran, Guillem Casadevall, Sílvia Osuna
Harnessing Conformational Dynamics in Enzyme Catalysis to achieve Nature-like catalytic efficiencies: The Shortest Path Map tool for computational enzyme design
Faraday Discuss., 2024, [], ASAP-
DOI: 10.1039/D3FD00156CKeywords: Enzyme design
Guillem Casadevall, Jordi Casadevall, Cristina Duran, Sílvia Osuna, Petersen Eva
The shortest path method (SPM) webserver for computational enzyme design
PEDS, 2024, 37, gzae005
DOI: 10.1093/protein/gzae005Keywords: Enzyme design
Nazanin Moeini, Hamidreza Teimoury, Mehrdad Salimi, Naeimeh Bahri-Laleh, Mohammad Joshaghani, Josep Duran, Albert Poater, Sergio Posada-Pérez
Influence of the reaction conditions on the Ziegler-Natta catalyzed ethylene polymerization: Kinetics and properties of the resulting polymers
Polymer, 2024, 293, 126640-
DOI: 10.1016/j.polymer.2023.126640Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Reaction mechanisms, Regioselectivite functionalization