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Issue Date | Title | Author(s) |
---|---|---|
28-Aug-2020 | DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs | Moreno, David; Zivanovic, Sanja; Colizzi, Francesco; Hospital Gasch, Adam; Aranda, Juan; Soliva, Robert; Orozco López, Modesto |
19-May-2022 | Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2 | Aranda, Juan; Wieczór, Miłosz; Terrazas Martínez, Montserrat; Brun Heath, Isabelle; Orozco López, Modesto |
6-Jan-2017 | The multiple roles of waters in protein solvation | Hospital Gasch, Adam; Candotti, Michela; Gelpí Buchaca, Josep Lluís; Orozco López, Modesto |
3-Feb-2017 | Discrete Molecular Dynamics Approach to the Study of Disordered and Aggregating Proteins | Emperador, Agustí; Orozco López, Modesto |
14-Jan-2017 | How accurate are accurate force-fields for B-DNA? | Dans, Pablo D.; Ivani, Ivan; Hospital Gasch, Adam; Portella, Guillem; González, Carlos; Orozco López, Modesto |
Aug-2012 | Difining the Nature of Thermal Intermediate in 3 State Folding Proteins: Apoflavodoxin, a Study Case | García Fandiño, Rebeca; Bernadó Peretó, Pau; Ayuso Tejedor, Sara; Sancho, Javier; Orozco López, Modesto |
27-Mar-2015 | Molecular dynamics study of natural existing cavity couplings in proteins | Barbany, Montserrat; Meyer, Tim; Hospital Gasch, Adam; Faustino Pló, Ignacio; D´Abramo, Marco; Morata Chirivella, Jordi; Orozco López, Modesto; Cruz, Xavier de la |
14-Jun-2018 | Allosterism and signal transfer in DNA | Balaceanu, Alexandra; Pérez, Alberto; Dans, Pablo D.; Orozco López, Modesto |
9-Dec-2019 | Determination of a structural ensemble representing the dynamics of a G-Quadruplex DNA | Portella, Guillem; Orozco López, Modesto; Vendruscolo, Michele |
25-Jan-2019 | Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics | Colizzi, Francesco; Hospital Gasch, Adam; Zivanovic, Sanja; Orozco López, Modesto |