000 01387 a2200349 4500
005 20250517033314.0
264 0 _c20161213
008 201612s 0 0 eng d
022 _a1538-0254
024 7 _a10.1080/07391102.2015.1044474
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aKumar, Sivakumar Prasanth
245 0 0 _aThe effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models.
_h[electronic resource]
260 _bJournal of biomolecular structure & dynamics
_c2016
300 _a540-59 p.
_bdigital
500 _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't
650 0 4 _aCyclooxygenase 2
_xchemistry
650 0 4 _aCyclooxygenase 2 Inhibitors
_xchemistry
650 0 4 _aDrug Design
650 0 4 _aModels, Molecular
650 0 4 _aMolecular Conformation
650 0 4 _aMolecular Docking Simulation
650 0 4 _aMolecular Dynamics Simulation
650 0 4 _aProtein Binding
650 0 4 _aQuantitative Structure-Activity Relationship
650 0 4 _aSoftware
700 1 _aJha, Prakash C
700 1 _aJasrai, Yogesh T
700 1 _aPandya, Himanshu A
773 0 _tJournal of biomolecular structure & dynamics
_gvol. 34
_gno. 3
_gp. 540-59
856 4 0 _uhttps://doi.org/10.1080/07391102.2015.1044474
_zAvailable from publisher's website
999 _c24922764
_d24922764