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Journal of Computer-Aided Molecular Design|April 8, 2004
Sampling and convergence in free energy calculations of protein-ligand interactions: the binding of triphenoxypyridine derivatives to factor Xa and trypsinAlessandra Villa, Ronen Zangi, Gilles Pieffet, et al.Biophysical Journal|October 29, 2003
Molecular dynamics simulation of protein folding by essential dynamics sampling: folding landscape of horse heart cytochrome cIsabella Daidone, Andrea Amadei, Danilo Roccatano, et al.Journal of the American Chemical Society|July 17, 2007
A 10-A spectroscopic ruler applied to short polyprolinesHarekrushna Sahoo, Danilo Roccatano, Andreas Hennig, et al.Physical Chemistry Chemical Physics : PCCP|November 23, 2017
Shedding light on the different behavior of ionic and nonionic surfactants in emulsion polymerization: from atomistic simulations to experimental observationsGiulia Magi Meconi, Nicholas Ballard, José M Asua, et al.Journal of Biotechnology|November 28, 2013
Insights on activity and stability of subtilisin E towards guanidinium chloride and sodium dodecylsulfateZhenwei Li, Danilo Roccatano, Michael Lorenz, et al.Soft Matter|November 22, 2016
Adsorption and desorption behavior of ionic and nonionic surfactants on polymer surfacesGiulia Magi Meconi, Nicholas Ballard, José M Asua, et al.Biophysical Journal|May 29, 2003
Molecular dynamics simulations of lignin peroxidase in solutionM Francesca Gerini, Danilo Roccatano, Enrico Baciocchi, et al.Journal of Chemical Theory and Computation|November 26, 2015
Hybrid Particle-Field Coarse-Grained Models for Biological PhospholipidsAntonio De Nicola, Ying Zhao, Toshihiro Kawakatsu, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 6, 2005
Molecular dynamics simulation of water near nanostructured hydrophobic surfaces: interfacial energiesSandeep Pal, Danilo Roccatano, Horst Weiss, et al.The Journal of Physical Chemistry. B|November 10, 2012
Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulationsSamira Hezaveh, Susruta Samanta, Antonio De Nicola, et al.Pageof 12