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Iscience|January 25, 2023
Omicron mutations increase interdomain interactions and reduce epitope exposure in the SARS-CoV-2 spikeMiłosz Wieczór, Phu K Tang, Modesto Orozco, et al.Journal of Chemical Theory and Computation|November 22, 2015
Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug DesignRima Chaudhuri, Oliver Carrillo, Charles Anthony Laughton, et al.Journal of Chemical Theory and Computation|May 22, 2010
X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in WaterWangshen Xie, Modesto Orozco, Donald G Truhlar, et al.The Journal of Physical Chemistry. B|June 19, 2009
Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energiesIgnacio Soteras, Flavio Forti, Modesto Orozco, et al.Nucleic Acids Research|March 4, 2014
Fuzziness and noise in nucleosomal architectureOscar Flores, Özgen Deniz, Montserrat Soler-López, et al.Chemical Society Reviews|December 16, 2003
Theoretical methods for the simulation of nucleic acidsModesto Orozco, Alberto Pérez, Agnes Noy, et al.Genome Biology|December 13, 2007
Determining promoter location based on DNA structure first-principles calculationsJ Ramon Goñi, Alberto Pérez, David Torrents, et al.Current Opinion in Structural Biology|December 29, 2015
Multiscale simulation of DNAPablo D Dans, Jürgen Walther, Hansel Gómez, et al.Journal of Computational Chemistry|August 21, 2007
Extension of the MST continuum solvation model to the RM1 semiempirical HamiltonianFlavio Forti, Xavier Barril, F Javier Luque, et al.Nucleic Acids Research|April 27, 2007
Theoretical study of large conformational transitions in DNA: the BA conformational change in water and ethanol/waterAgnes Noy, Alberto Pérez, Charles A Laughton, et al.Pageof 79