Predicting mutation-induced stark shifts in the active site of a protein with a polarized force field

Journal of Physical Chemistry A

Volumn 117, Issue 29, 2013, Pages 6015-6023

  Wang, Xianwei ^a   He, Xiao ^a   Zhang, John Z H ^a,b  

^a EAST CHINA NORMAL UNIVERSITY   (China)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; ELECTRIC FIELD SHIFTS; ELECTRONIC POLARIZATION EFFECT; EXPERIMENTAL DEVELOPMENT; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN STRUCTURES; STRETCHING VIBRATIONS; VIBRATIONAL FREQUENCY SHIFT;

CYANIDES; ELECTRIC FIELDS; FREQUENCY SHIFT KEYING; MOLECULAR DYNAMICS; PROTEINS; QUANTUM CHEMISTRY; STRETCHING;

ELECTRIC FIELD MEASUREMENT;

EID: 84880825906     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp312063h     Document Type: Article

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