000 01614 a2200445 4500
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264 0 _c20100722
008 201007s 0 0 eng d
022 _a1573-4951
024 7 _a10.1007/s10822-010-9324-x
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aDel Rio, Alberto
245 0 0 _aA computational workflow for the design of irreversible inhibitors of protein kinases.
_h[electronic resource]
260 _bJournal of computer-aided molecular design
_cMar 2010
300 _a183-94 p.
_bdigital
500 _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't
650 0 4 _aAmino Acid Sequence
650 0 4 _aAntineoplastic Agents
_xchemistry
650 0 4 _aBinding Sites
650 0 4 _aCysteine
_xchemistry
650 0 4 _aDrug Design
650 0 4 _aHumans
650 0 4 _aMitogen-Activated Protein Kinase 1
_xantagonists & inhibitors
650 0 4 _aMolecular Dynamics Simulation
650 0 4 _aMolecular Sequence Data
650 0 4 _aProtein Binding
650 0 4 _aProtein Conformation
650 0 4 _aProtein Kinase Inhibitors
_xchemistry
650 0 4 _aStructure-Activity Relationship
700 1 _aSgobba, Miriam
700 1 _aParenti, Marco Daniele
700 1 _aDegliesposti, Gianluca
700 1 _aForestiero, Rosetta
700 1 _aPercivalle, Claudia
700 1 _aConte, Pier Franco
700 1 _aFreccero, Mauro
700 1 _aRastelli, Giulio
773 0 _tJournal of computer-aided molecular design
_gvol. 24
_gno. 3
_gp. 183-94
856 4 0 _uhttps://doi.org/10.1007/s10822-010-9324-x
_zAvailable from publisher's website
999 _c19669643
_d19669643