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Thomas Simonson

Showing results (21-30 of 91) with videos related to

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Journal of Chemical Theory and Computation|September 9, 2017
Full Protein Sequence Redesign with an MMGBSA Energy FunctionThomas Gaillard, Thomas Simonson
The Journal of Biological Chemistry|March 5, 2010
Molecular dynamics simulations show that conformational selection governs the binding preferences of imatinib for several tyrosine kinasesAlexey Aleksandrov, Thomas Simonson
Methods in Molecular Biology (Clifton, N.J.)|November 1, 2025
Transition State-Based Computational Enzyme DesignThomas Gaillard, Thomas Simonson
Journal of Computational Chemistry|July 13, 2010
A large decoy set of protein-protein complexes produced by flexible dockingGuillaume Launay, Thomas Simonson
Journal of Computational Chemistry|May 21, 2016
Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristicDavid Mignon, Thomas Simonson
Current Opinion in Structural Biology|April 20, 2004
Theory and simulation: from protons to genomesJoël Janin, Thomas Simonson
Journal of Computational Chemistry|December 19, 2009
A molecular mechanics model for imatinib and imatinib:kinase bindingAlexey Aleksandrov, Thomas Simonson
Journal of Molecular Graphics & Modelling|November 22, 2005
Cys(x)His(y)-Zn2+ interactions: possibilities and limitations of a simple pairwise force fieldNicolas Calimet, Thomas Simonson
Proteins|September 5, 2002
Cys(x)His(y)-Zn2+ interactions: thiol vs. thiolate coordinationThomas Simonson, Nicolas Calimet
Journal of Computational Chemistry|July 11, 2008
Molecular mechanics models for tetracycline analogsAlexey Aleksandrov, Thomas Simonson
Pageof 10

Showing results (21-30 of 91) with videos related to

Sort By:
Pageof 10
Journal of Chemical Theory and Computation|September 9, 2017
Full Protein Sequence Redesign with an MMGBSA Energy FunctionThomas Gaillard, Thomas Simonson
The Journal of Biological Chemistry|March 5, 2010
Molecular dynamics simulations show that conformational selection governs the binding preferences of imatinib for several tyrosine kinasesAlexey Aleksandrov, Thomas Simonson
Methods in Molecular Biology (Clifton, N.J.)|November 1, 2025
Transition State-Based Computational Enzyme DesignThomas Gaillard, Thomas Simonson
Journal of Computational Chemistry|July 13, 2010
A large decoy set of protein-protein complexes produced by flexible dockingGuillaume Launay, Thomas Simonson
Journal of Computational Chemistry|May 21, 2016
Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristicDavid Mignon, Thomas Simonson
Current Opinion in Structural Biology|April 20, 2004
Theory and simulation: from protons to genomesJoël Janin, Thomas Simonson
Journal of Computational Chemistry|December 19, 2009
A molecular mechanics model for imatinib and imatinib:kinase bindingAlexey Aleksandrov, Thomas Simonson
Journal of Molecular Graphics & Modelling|November 22, 2005
Cys(x)His(y)-Zn2+ interactions: possibilities and limitations of a simple pairwise force fieldNicolas Calimet, Thomas Simonson
Proteins|September 5, 2002
Cys(x)His(y)-Zn2+ interactions: thiol vs. thiolate coordinationThomas Simonson, Nicolas Calimet
Journal of Computational Chemistry|July 11, 2008
Molecular mechanics models for tetracycline analogsAlexey Aleksandrov, Thomas Simonson
Pageof 10