AIMC Topic: Crystallography, X-Ray

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mCSM-PPI2: predicting the effects of mutations on protein-protein interactions.

Nucleic acids research Jul 2, 2019
Protein-protein Interactions are involved in most fundamental biological processes, with disease causing mutations enriched at their interfaces. Here we present mCSM-PPI2, a novel machine learning computational tool designed to more accurately predic...
Machine Learning Software Humans Thermodynamics Mutation, Missense Binding Sites Protein Conformation, alpha-Helical Protein Conformation, beta-Strand Protein Interaction Domains and Motifs Protein Interaction Mapping Proteins Internet Protein Binding Crystallography, X-Ray Benchmarking Datasets as Topic
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Blind prediction of protein B-factor and flexibility.

The Journal of chemical physics Oct 7, 2018
The Debye-Waller factor, a measure of X-ray attenuation, can be experimentally observed in protein X-ray crystallography. Previous theoretical models have made strong inroads in the analysis of beta (B)-factors by linearly fitting protein B-factors f...
Computer Graphics Receptors, Fc Protein Conformation Algorithms Machine Learning Animals Humans Elasticity Databases, Protein Crystallography, X-Ray
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Enhancing fluorescent protein photostability through robot-assisted photobleaching.

Integrative biology : quantitative biosciences from nano to macro Jul 16, 2018
Improving fluorescent proteins through the use of directed evolution requires robust techniques for screening large libraries of genetic variants. Here we describe an effective and relatively low-cost system for screening libraries of fluorescent pro...
Humans Robotics Bacterial Proteins Escherichia coli Photobleaching Plasmids Luminescent Proteins Crystallography, X-Ray HeLa Cells Photochemistry Models, Biological Mutation Light
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Tackling the problem of HIV drug resistance.

Postepy biochemii Jan 1, 2016
The virally-encoded HIV-1 protease is an effective target for antiviral drugs, however, treatment for HIV infections is limited by the prevalence of drug resistant viral mutants. In this review, we describe our three-pronged approach to analyze and c...
HIV Infections Machine Learning HIV-1 Drug Discovery Computational Biology Humans Drug Resistance, Viral Anti-HIV Agents Structure-Activity Relationship Crystallography, X-Ray HIV Protease
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