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Nucleic Acids Research|November 25, 2004
The relative flexibility of B-DNA and A-RNA duplexes: database analysisAlberto Pérez, Agnes Noy, Filip Lankas, et al.Biophysical Journal|August 10, 2004
Exploring the counterion atmosphere around DNA: what can be learned from molecular dynamics simulations?Manuel Rueda, Elena Cubero, Charles A Laughton, et al.The Journal of Organic Chemistry|June 7, 2003
Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformationXavier Fradera, Manuel Márquez, Bradley D Smith, et al.The Journal of Physical Chemistry. A|January 13, 2006
Benzoderivatives of nucleic acid bases as modified DNA building blocksOscar Huertas, José Ramón Blas, Ignacio Soteras, et al.Journal of Chemical Theory and Computation|November 24, 2015
A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small MoleculesFlavio Forti, Claudio N Cavasotto, Modesto Orozco, et al.Journal of Medicinal Chemistry|April 4, 2003
Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?Robert Soliva, Carmen Almansa, Susana G Kalko, et al.Journal of Computational Chemistry|June 24, 2003
Energy decomposition in molecular complexes: implications for the treatment of polarization in molecular simulationsCarles Curutchet, Josep María Bofill, Begoña Hernández, et al.The Journal of Physical Chemistry. B|October 17, 2014
Assessing the suitability of the multilevel strategy for the conformational analysis of small ligandsJordi Juárez-Jiménez, Xavier Barril, Modesto Orozco, et al.The Journal of Physical Chemistry. B|July 21, 2006
MST continuum study of the hydration free energies of monovalent ionic speciesCarles Curutchet, Axel Bidon-Chanal, Ignaci Soteras, et al.Structure (London, England : 1993)|June 8, 2011
A systematic study of the energetics involved in structural changes upon association and connectivity in protein interaction networksAmelie Stein, Manuel Rueda, Alejandro Panjkovich, et al.Pageof 50