Molecular modeling and computational simulation of the photosystem-II reaction center to address isoproturon resistance in Phalaris minor

Journal of Molecular Modeling

Volumn 18, Issue 8, 2012, Pages 3903-3913

  Singh, Durg Vijay ^a   Agarwal, Shikha ^a   Kesharwani, Rajesh Kumar ^a   Misra, Krishna ^a  

^a INDIAN INSTITUTE OF INFORMATION TECHNOLOGY   (India)

Author keywords

D1 D2 PS II reaction center; De novo ligand designing; Docking; Isoproturon; MD simulation; Phalaris minor; Pharmacophore

Indexed keywords

2 OLEOYL 1 PALMITOYLPHOSPHATIDYLCHOLINE; BICARBONATE; CHLOROPHYLL; IRON; ISOPROTURON; OXYGEN; PLASTOQUINONE; TRIAZOLE DERIVATIVE;

ARTICLE; BINDING SITE; COMPUTER SIMULATION; CRYSTAL STRUCTURE; HERBICIDE RESISTANCE; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR WEIGHT; NONHUMAN; PHALARIS; PHARMACOPHORE; PHOTOSYSTEM II; PHYLOGENY; PRESSURE; PRIORITY JOURNAL; THERMOSYNECHOCOCCUS ELONGATUS; WEED;

BINDING SITES; DRUG DESIGN; DRUG RESISTANCE; HERBICIDES; HYDROGEN BONDING; LIPIDS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE ANNOTATION; PHALARIS; PHENYLUREA COMPOUNDS; PHOTOSYSTEM II PROTEIN COMPLEX; PHYLOGENY; PLANT WEEDS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; STRUCTURAL HOMOLOGY, PROTEIN; SURFACE PROPERTIES; THERMODYNAMICS; WEED CONTROL;

PHALARIS MINOR; THERMOSYNECHOCOCCUS ELONGATUS; TRITICUM AESTIVUM;

EID: 84864701522     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1386-3     Document Type: Article

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