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Journal of Chemical Theory and Computation|November 25, 2015
PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein SystemsAgustí Emperador, Pedro Sfriso, Marcos Ariel Villarreal, et al.
Journal of the American Chemical Society|September 22, 2017
Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pHBartomeu Mir, Israel Serrano, Diana Buitrago, et al.
Plos Computational Biology|August 29, 2012
Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study caseRebeca García-Fandiño, Pau Bernadó, Sara Ayuso-Tejedor, et al.
RSC Chemical Biology|July 7, 2023
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNAJessica Rodriguez, Federica Battistini, Soraya Learte-Aymamí, et al.
Journal of Chemical Information and Modeling|May 13, 2009
Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modesManuel Rueda, Giovanni Bottegoni, Ruben Abagyan
Journal of Chemical Information and Modeling|December 17, 2009
Recipes for the selection of experimental protein conformations for virtual screeningManuel Rueda, Giovanni Bottegoni, Ruben Abagyan
Methods in Molecular Biology (Clifton, N.J.)|February 11, 2012
Ligand-guided receptor optimizationVsevolod Katritch, Manuel Rueda, Ruben Abagyan
Journal of Chemical Information and Modeling|September 6, 2012
ALiBERO: evolving a team of complementary pocket conformations rather than a single leaderManuel Rueda, Max Totrov, Ruben Abagyan
Journal of Chemical Theory and Computation|November 26, 2015
A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation EffectsMarie Zgarbová, F Javier Luque, Jiří Šponer, et al.
Organic & Biomolecular Chemistry|May 27, 2011
First asymmetric cascade reaction catalysed by chiral primary aminoalcoholsCarlos Arróniz, Carmen Escolano, F Javier Luque, et al.
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