000			01695 a2200469 4500
005			20250516065421.0
264		0	_c20120920
008			201209s 0 0 eng d
022			_a0948-5023
024	7		_a10.1007/s00894-011-1308-9 _2doi
040			_aNLM _beng _cNLM
100	1		_aYu, Xiaozhen
245	0	0	_aGlobal and local molecular dynamics of a bacterial carboxylesterase provide insight into its catalytic mechanism. _h[electronic resource]
260			_bJournal of molecular modeling _cJun 2012
300			_a2869-83 p. _bdigital
500			_aPublication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
650	0	4	_aAlgorithms
650	0	4	_aAmino Acid Sequence
650	0	4	_aAmino Acid Substitution
650	0	4	_aBacillus subtilis _xenzymology
650	0	4	_aBacterial Proteins _xchemistry
650	0	4	_aBiocatalysis
650	0	4	_aCarboxylesterase _xchemistry
650	0	4	_aCatalytic Domain
650	0	4	_aHydrogen Bonding
650	0	4	_aHydrolysis
650	0	4	_aKinetics
650	0	4	_aMolecular Dynamics Simulation
650	0	4	_aMolecular Sequence Data
650	0	4	_aMutagenesis, Site-Directed
650	0	4	_aProtein Binding
650	0	4	_aProtein Structure, Secondary
650	0	4	_aThermodynamics
700	1		_aSigler, Sara C
700	1		_aHossain, Delwar
700	1		_aWierdl, Monika
700	1		_aGwaltney, Steven R
700	1		_aPotter, Philip M
700	1		_aWadkins, Randy M
773	0		_tJournal of molecular modeling _gvol. 18 _gno. 6 _gp. 2869-83
856	4	0	_uhttps://doi.org/10.1007/s00894-011-1308-9 _zAvailable from publisher's website
999			_c21353388 _d21353388