The DINGO dataset: A comprehensive set of data for the SAMPL challenge

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 5, 2012, Pages 497-503

  Newman, Janet ^a   Dolezal, Olan ^a   Fazio, Vincent ^a   Caradoc Davies, Tom ^b   Peat, Thomas S ^a  

^a CSIRO   (Australia)

^b AUSTRALIAN SYNCHROTRON   (Australia)

Author keywords

Fragment screening; Isothermal titration calorimetry; Modelling; Surface plasmon resonance; X ray crystallography

Indexed keywords

BINDING ENERGY; CALORIMETERS; CALORIMETRY; ISOTHERMS; PROTEINS; TITRATION; X RAY CRYSTALLOGRAPHY;

DATA SET; ENERGY; FRAGMENT SCREENING; ISOTHERMAL TITRATION CALORIMETRY; MODELING; PROTEIN CRYSTALLIZATION; PROTEIN CRYSTALLOGRAPHY; PROTEIN TARGETS; RAW IMAGES; SURFACE-PLASMON RESONANCE;

SURFACE PLASMON RESONANCE;

CARBONATE DEHYDRATASE II;

BINDING AFFINITY; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFERENCE PAPER; CRYSTALLIZATION; GEL PERMEATION CHROMATOGRAPHY; ISOTHERMAL TITRATION CALORIMETRY; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN IMMOBILIZATION; ROBOTICS; SAMPLE SIZE; SURFACE PLASMON RESONANCE; X RAY CRYSTALLOGRAPHY;

EID: 84863086466     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9521-2     Document Type: Conference Paper

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