Lessons from high-throughput protein crystallization screening: 10 years of practical experience

JR Luft, EH Snell, GT DeTitta - Expert opinion on drug discovery, 2011 - Taylor & Francis
Introduction: X-ray crystallography provides the majority of our structural biological
knowledge at a molecular level and, in terms of pharmaceutical design, is a valuable tool to …

Classification of crystallization outcomes using deep convolutional neural networks

AE Bruno, P Charbonneau, J Newman, EH Snell… - PLOS …, 2018 - journals.plos.org
The Machine Recognition of Crystallization Outcomes (MARCO) initiative has assembled
roughly half a million annotated images of macromolecular crystallization experiments from …

[PDF][PDF] 20 years of crystal hits: progress and promise in ultrahigh-throughput crystallization screening

ML Lynch, ME Snell, SA Potter, EH Snell… - … Section D: Structural …, 2023 - journals.iucr.org
Diffraction-based structural methods contribute a large fraction of the biomolecular structural
models available, providing a critical understanding of macromolecular architecture. These …

What's in a drop? Correlating observations and outcomes to guide macromolecular crystallization experiments

JR Luft, JR Wolfley, EH Snell - Crystal growth & design, 2011 - ACS Publications
Observations of crystallization experiments are classified as specific outcomes and
integrated through a phase diagram to visualize solubility and thereby direct subsequent …

Computational crystallization

I Altan, P Charbonneau, EH Snell - Archives of biochemistry and biophysics, 2016 - Elsevier
Crystallization is a key step in macromolecular structure determination by crystallography.
While a robust theoretical treatment of the process is available, due to the complexity of the …

Protein crystallization analysis on the world community grid

CA Cumbaa, I Jurisica - Journal of structural and functional genomics, 2010 - Springer
We have developed an image-analysis and classification system for automatically scoring
images from high-throughput protein crystallization trials. Image analysis for this system is …

Learning deep convolutional neural networks for x-ray protein crystallization image analysis

M Yann, Y Tang - Proceedings of the AAAI Conference on Artificial …, 2016 - ojs.aaai.org
Obtaining a protein's 3D structure is crucial to the understanding of its functions and
interactions with other proteins. It is critical to accelerate the protein crystallization process …

[PDF][PDF] Applications of the second virial coefficient: protein crystallization and solubility

WW Wilson, LJ DeLucas - Acta Crystallographica Section F …, 2014 - journals.iucr.org
This article begins by highlighting some of the ground-based studies emanating from
NASA's Microgravity Protein Crystal Growth (PCG) program. This is followed by a more …

[HTML][HTML] Identifying, studying and making good use of macromolecular crystals

G Calero, AE Cohen, JR Luft, J Newman… - … Section F: Structural …, 2014 - scripts.iucr.org
Structural biology has contributed tremendous knowledge to the understanding of life on the
molecular scale. The Protein Data Bank, a depository of this structural knowledge, currently …

Machine Learning for In Silico Modeling of Tumor Growth

F Jeanquartier, C Jean-Quartier, M Kotlyar… - Machine Learning for …, 2016 - Springer
The various interplaying variables of tumor growth remain key questions in cancer research,
in particular what makes such a growth malignant and what are possible therapies to stop …