000			01298 a2200337 4500
005			20250516120317.0
264		0	_c20130722
008			201307s 0 0 eng d
022			_a1873-4294
024	7		_a10.2174/156802612804910313 _2doi
040			_aNLM _beng _cNLM
100	1		_aNichols, Sara E
245	0	0	_aRational prediction with molecular dynamics for hit identification. _h[electronic resource]
260			_bCurrent topics in medicinal chemistry _c2012
300			_a2002-12 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.; Review
650	0	4	_aBinding Sites
650	0	4	_aComputational Biology _xmethods
650	0	4	_aDrug Design
650	0	4	_aDrug Discovery _xmethods
650	0	4	_aDrug Evaluation, Preclinical _xmethods
650	0	4	_aMolecular Docking Simulation
650	0	4	_aMolecular Dynamics Simulation
650	0	4	_aProteins _xchemistry
650	0	4	_aROC Curve
650	0	4	_aSoftware
700	1		_aSwift, Robert V
700	1		_aAmaro, Rommie E
773	0		_tCurrent topics in medicinal chemistry _gvol. 12 _gno. 18 _gp. 2002-12
856	4	0	_uhttps://doi.org/10.2174/156802612804910313 _zAvailable from publisher's website
999			_c22224412 _d22224412