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The Journal of Physical Chemistry. B|November 14, 2013
Theoretical study of binding and permeation of ether-based polymers through interfacesSusruta Samanta, Samira Hezaveh, Danilo Roccatano
Physical Chemistry Chemical Physics : PCCP|May 31, 2011
Study of structural and dynamic properties of liquid phenyltrimethoxysilaneKhadga Karki, Arnulf Materny, Danilo Roccatano
Protein Engineering, Design & Selection : PEDS|April 8, 2011
Temperature effects on structure and dynamics of the psychrophilic protease subtilisin S41 and its thermostable mutants in solutionRonny Martinez, Ulrich Schwaneberg, Danilo Roccatano
ACS Synthetic Biology|May 9, 2013
MAP(2.0)3D: a sequence/structure based server for protein engineeringRajni Verma, Ulrich Schwaneberg, Danilo Roccatano
Inorganic Chemistry|April 11, 2012
Structure and dynamics of dodecaborate clusters in waterKhadga Karki, Detlef Gabel, Danilo Roccatano
Journal of Molecular Biology|May 19, 2004
Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics samplingIsabella Daidone, Danilo Roccatano, Steven Hayward
Journal of Chemical Theory and Computation|November 22, 2015
Conformational Dynamics of the FMN-Binding Reductase Domain of Monooxygenase P450BM-3Rajni Verma, Ulrich Schwaneberg, Danilo Roccatano
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