000 01205 a2200337 4500
005 20250518060912.0
264 0 _c20200210
008 202002s 0 0 eng d
022 _a1422-0067
024 7 _a10.3390/ijms20184468
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aKiani, Yusra Sajid
245 0 0 _aMolecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors.
_h[electronic resource]
260 _bInternational journal of molecular sciences
_cSep 2019
500 _aPublication Type: Journal Article
650 0 4 _aAlgorithms
650 0 4 _aAmino Acids
_xchemistry
650 0 4 _aBinding Sites
650 0 4 _aCytochrome P-450 CYP3A
_xchemistry
650 0 4 _aCytochrome P-450 CYP3A Inhibitors
_xchemistry
650 0 4 _aHumans
650 0 4 _aMolecular Docking Simulation
650 0 4 _aMolecular Dynamics Simulation
650 0 4 _aProtein Binding
650 0 4 _aThermodynamics
700 1 _aRanaghan, Kara E
700 1 _aJabeen, Ishrat
700 1 _aMulholland, Adrian J
773 0 _tInternational journal of molecular sciences
_gvol. 20
_gno. 18
856 4 0 _uhttps://doi.org/10.3390/ijms20184468
_zAvailable from publisher's website
999 _c30101231
_d30101231