000			01408 a2200385 4500
005			20250517193654.0
264		0	_c20191126
008			201911s 0 0 eng d
022			_a1573-4951
024	7		_a10.1007/s10822-017-0092-8 _2doi
040			_aNLM _beng _cNLM
100	1		_aYu, Miao
245	0	0	_aDiscovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening. _h[electronic resource]
260			_bJournal of computer-aided molecular design _c02 2018
300			_a347-361 p. _bdigital
500			_aPublication Type: Journal Article; Research Support, Non-U.S. Gov't
650	0	4	_aAmino Acid Sequence
650	0	4	_aAmino Acids _xchemistry
650	0	4	_aBayes Theorem
650	0	4	_aDrug Discovery _xmethods
650	0	4	_aLigands
650	0	4	_aMachine Learning
650	0	4	_aMolecular Dynamics Simulation
650	0	4	_aMolecular Structure
650	0	4	_aPhosphoinositide-3 Kinase Inhibitors
650	0	4	_aProtein Binding
650	0	4	_aProtein Kinase Inhibitors _xchemistry
650	0	4	_aQuantitative Structure-Activity Relationship
650	0	4	_aSoftware
650	0	4	_aThermodynamics
700	1		_aGu, Qiong
700	1		_aXu, Jun
773	0		_tJournal of computer-aided molecular design _gvol. 32 _gno. 2 _gp. 347-361
856	4	0	_uhttps://doi.org/10.1007/s10822-017-0092-8 _zAvailable from publisher's website
999			_c27953731 _d27953731