Crystallization

Showing 41 to 44 of 44 articles

Clear Filters

Crystallization and X-ray diffraction of an ectoine hydroxylase from Bacillus pseudofirmus OF4.

Wei sheng wu xue bao = Acta microbiologica Sinica 26915228

OBJECTIVE: To study crystallization and X-Ray diffraction of ectoine hydroxylase from Bacillus pseudofirmus OF4.

Amino Acid Sequence Amino Acids, Diamino Bacillus Bacterial Proteins Crystallization Mixed Function Oxygenases Molecular Sequence Data Sequence Alignment X-Ray Diffraction

View on PubMed

The Virtual Screening of the Drug Protein with a Few Crystal Structures Based on the Adaboost-SVM.

Computational and mathematical methods in medicine 27127534

Using the theory of machine learning to assist the virtual screening (VS) has been an effective plan. However, the quality of the training set may reduce because of mixing with the wrong docking poses and it will affect the screening efficiencies. To...

Algorithms Area Under Curve Binding Sites Cathepsin K Chemistry, Pharmaceutical Combinatorial Chemistry Techniques Computational Biology Crystallization Databases, Protein Drug Design Humans Hydrogen Imaging, Three-Dimensional Ligands Models, Statistical Protein Binding Protein Conformation Proteins Reproducibility of Results ROC Curve Software Support Vector Machine

View on PubMed DOI

Super-Thresholding: Supervised Thresholding of Protein Crystal Images.

IEEE/ACM transactions on computational biology and bioinformatics 26992178

In general, a single thresholding technique is developed or enhanced to separate foreground objects from background for a domain of images. This idea may not generate satisfactory results for all images in a dataset, since different images may requir...

Algorithms Crystallization Databases, Protein Image Processing, Computer-Assisted Proteins Supervised Machine Learning

View on PubMed DOI

Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor.

Journal of chemical information and modeling 28024401

A new molecular descriptor, nConf, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular...

Algorithms Crystallization Drug Design Machine Learning Models, Molecular Molecular Conformation

View on PubMed DOI

AI Medical Compendium Topic

Explore the latest research on artificial intelligence and machine learning in medicine.

Crystallization