Polarizable atomic multipole X-ray refinement: Application to peptide crystals

Acta Crystallographica Section D: Biological Crystallography

Volumn 65, Issue 9, 2009, Pages 952-965

  Schnieders, Michael J ^a   Fenn, Timothy D ^b,c   Pande, Vijay S ^a   Brunger, Axel T ^b,c  

^a STANFORD UNIVERSITY   (United States)

^b STANFORD UNIVERSITY SCHOOL OF MEDICINE   (United States)

^c HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

AMOEBA; Anisotropic; Aspherical; Bond density; Direct summation; Ewald; FFT; Force fields; Multipole; PME; Polarization; Scattering factors; SGFFT

Indexed keywords

PEPTIDE FRAGMENT;

ARTICLE; BIOLOGY; CHEMISTRY; COMPUTER PROGRAM; FOURIER ANALYSIS; METABOLISM; ORGANIC CHEMISTRY; PROTEIN CONFORMATION; STATISTICS; THEORETICAL MODEL; X RAY DIFFRACTION;

CHEMISTRY, ORGANIC; COMPUTATIONAL BIOLOGY; FOURIER ANALYSIS; MODELS, THEORETICAL; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; SOFTWARE; STATISTICS AS TOPIC; X-RAY DIFFRACTION;

EID: 69949188885     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S0907444909022707     Document Type: Article

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