000 01468 a2200421 4500
005 20250517093502.0
264 0 _c20170731
008 201707s 0 0 eng d
022 _a1549-960X
024 7 _a10.1021/acs.jcim.5b00641
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aRobinson, Daniel
245 0 0 _aDifferential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
_h[electronic resource]
260 _bJournal of chemical information and modeling
_c05 2016
300 _a886-94 p.
_bdigital
500 _aPublication Type: Journal Article
650 0 4 _aLigands
650 0 4 _aMolecular Dynamics Simulation
650 0 4 _aPhosphatidylinositol 3-Kinases
_xchemistry
650 0 4 _aProtein Conformation
650 0 4 _aProtein Subunits
_xchemistry
650 0 4 _aSolvents
_xchemistry
650 0 4 _aSubstrate Specificity
650 0 4 _aThermodynamics
650 0 4 _aWater
_xchemistry
700 1 _aBertrand, Thomas
700 1 _aCarry, Jean-Christophe
700 1 _aHalley, Frank
700 1 _aKarlsson, Andreas
700 1 _aMathieu, Magali
700 1 _aMinoux, Hervé
700 1 _aPerrin, Marc-Antoine
700 1 _aRobert, Benoit
700 1 _aSchio, Laurent
700 1 _aSherman, Woody
773 0 _tJournal of chemical information and modeling
_gvol. 56
_gno. 5
_gp. 886-94
856 4 0 _uhttps://doi.org/10.1021/acs.jcim.5b00641
_zAvailable from publisher's website
999 _c25987089
_d25987089