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Journal of Computational Chemistry|December 19, 2009
A molecular mechanics model for imatinib and imatinib:kinase bindingAlexey Aleksandrov, Thomas SimonsonJournal of Molecular Graphics & Modelling|November 22, 2005
Cys(x)His(y)-Zn2+ interactions: possibilities and limitations of a simple pairwise force fieldNicolas Calimet, Thomas SimonsonProteins|September 5, 2002
Cys(x)His(y)-Zn2+ interactions: thiol vs. thiolate coordinationThomas Simonson, Nicolas CalimetJournal of Computational Chemistry|July 11, 2008
Molecular mechanics models for tetracycline analogsAlexey Aleksandrov, Thomas SimonsonJournal of Computational Chemistry|July 19, 2006
The tetracycline: Mg2+ complex: a molecular mechanics force fieldAlexey Aleksandrov, Thomas SimonsonProteins|January 26, 2012
Conformational selection through electrostatics: Free energy simulations of GTP and GDP binding to archaeal initiation factor 2Priyadarshi Satpati, Thomas SimonsonCurrent Opinion in Structural Biology|August 30, 2021
How much can physics do for protein design?Eleni Michael, Thomas SimonsonProtein Science : a Publication of the Protein Society|March 19, 2024
Classifying protein kinase conformations with machine learningIvan Reveguk, Thomas SimonsonHuman Mutation|June 14, 2017
MiSynPat: An integrated knowledge base linking clinical, genetic, and structural data for disease-causing mutations in human mitochondrial aminoacyl-tRNA synthetasesLuc Moulinier, Raymond Ripp, Gaston Castillo, et al.Journal of Computational Chemistry|December 4, 2003
Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-RafHolger Gohlke, David A CasePageof 28