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Journal of Computational Chemistry|December 19, 2009
A molecular mechanics model for imatinib and imatinib:kinase bindingAlexey Aleksandrov, Thomas Simonson
Journal of Computational Chemistry|July 11, 2008
Molecular mechanics models for tetracycline analogsAlexey Aleksandrov, Thomas Simonson
Journal of Computational Chemistry|July 19, 2006
The tetracycline: Mg2+ complex: a molecular mechanics force fieldAlexey Aleksandrov, Thomas Simonson
Journal of Molecular Recognition : JMR|August 21, 2009
Alchemical free energy simulations for biological complexes: powerful but temperamentalAlexey Aleksandrov, Damien Thompson, Thomas Simonson
Biochimica Et Biophysica Acta|July 23, 2014
Electrostatic free energies in translational GTPases: Classic allostery and the restThomas Simonson, Alexey Aleksandrov, Priyadarshi Satpati
The Journal of Physical Chemistry. B|August 13, 2010
Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solventAlexey Aleksandrov, Savvas Polydorides, Georgios Archontis, et al.
Biophysical Journal|November 18, 2009
Tetracycline-tet repressor binding specificity: insights from experiments and simulationsAlexey Aleksandrov, Linda Schuldt, Winfried Hinrichs, et al.
Chembiochem : a European Journal of Chemical Biology|March 17, 2007
Protonation patterns in tetracycline:tet repressor recognition: simulations and experimentsAlexey Aleksandrov, Juliane Proft, Winfried Hinrichs, et al.
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