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Proteins|September 24, 2004
Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?Antonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
Proteins|November 2, 2004
Partition of protein solvation into group contributions from molecular dynamics simulationsAntonio Morreale, Xavier de la Cruz, Tim Meyer, et al.
The Journal of Physical Chemistry. B|January 30, 2008
Ab initio study of naphtho-homologated DNA basesAlvaro Vazquez-Mayagoita, Oscar Huertas, Miguel Fuentes-Cabrera, et al.
Physical Chemistry Chemical Physics : PCCP|March 30, 2017
Structural and energetic study of cation-π-cation interactions in proteinsSilvana Pinheiro, Ignacio Soteras, Josep Lluis Gelpí, et al.
Organic & Biomolecular Chemistry|January 30, 2013
First diastereoselective [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimidesCarlos Arróniz, Juan Molina, Sonia Abás, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 1, 2013
Evolution of a multicomponent system: computational and mechanistic studies on the chemo- and stereoselectivity of a divergent processSalomé Llabrés, Esther Vicente-García, Sara Preciado, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 29, 2007
Towards a tunable tautomeric switch in azobenzene biomimetics: implications for the binding affinity of 2-(4'-hydroxyphenylazo)benzoic acid to streptavidinJoan-Antoni Farrera, Ivan Canal, Pedro Hidalgo-Fernández, et al.
RSC Medicinal Chemistry|January 22, 2021
Discovery of a novel kinase hinge binder fragment by dynamic undockingMoira Rachman, Dávid Bajusz, Anasztázia Hetényi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 7, 2006
Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitutionJ Ramón Blas, Jose Maria López-Bes, Manuel Márquez, et al.
European Journal of Medicinal Chemistry|January 29, 2013
Evidence for a new binding mode to GSK-3: allosteric regulation by the marine compound palinurinAxel Bidon-Chanal, Ana Fuertes, Diana Alonso, et al.
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