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Items: 5


The open nucleotide pocket of the profilin/actin x-ray structure is unstable and closes in the absence of profilin.

Minehardt TJ, Kollman PA, Cooke R, Pate E.

Biophys J. 2006 Apr 1;90(7):2445-9. Epub 2006 Jan 20.


Protonation-induced stereoisomerism in nicotine: conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics.

Hammond PS, Wu Y, Harris R, Minehardt TJ, Car R, Schmitt JD.

J Comput Aided Mol Des. 2005 Jan;19(1):1-15.


Closing of the nucleotide pocket of kinesin-family motors upon binding to microtubules.

Naber N, Minehardt TJ, Rice S, Chen X, Grammer J, Matuska M, Vale RD, Kollman PA, Car R, Yount RG, Cooke R, Pate E.

Science. 2003 May 2;300(5620):798-801.


A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATP.

Minehardt TJ, Marzari N, Cooke R, Pate E, Kollman PA, Car R.

Biophys J. 2002 Feb;82(2):660-75.


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