AIMC Topic: Molecular Conformation

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Antibody Clustering Using a Machine Learning Pipeline that Fuses Genetic, Structural, and Physicochemical Properties.

Advances in experimental medicine and biology Jan 1, 2020
Antibody V domain clustering is of paramount importance to a repertoire of immunology-related areas. Although several approaches have been proposed for antibody clustering, still no consensus has been reached. Numerous attempts use information from g...
Machine Learning Cluster Analysis Amino Acid Sequence Molecular Conformation Antigen-Antibody Complex Complementarity Determining Regions
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Bacillus methylotrophicus ASWU-C2, a strain inhabiting hot desert soil, a new source for antibacterial bacillopyrone, pyrophen, and cyclopeptides.

Zeitschrift fur Naturforschung. C, Journal of biosciences Dec 19, 2018
A strain of Bacillus methylotrophicus was isolated from a soil sample collected in Aswan eastern desert, which is known for its extremely arid climate. After fermentation of the strain in liquid culture and subsequent extraction, a bioassay-guided is...
Anti-Bacterial Agents Microbial Sensitivity Tests Soil Microbiology Staphylococcus aureus Peptides, Cyclic Bacillus Chromobacterium Molecular Conformation Phenylalanine Pyrones
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Approaching Pharmacological Space: Events and Components.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2018
With a view to introducing the concept of pharmacological space and its potential applications in investigating and predicting the toxic mechanisms of xenobiotics, this opening chapter describes the logical relations between conformational behavior, ...
Molecular Docking Simulation Drug Discovery Fuzzy Logic Molecular Dynamics Simulation Ligands Molecular Conformation Quantitative Structure-Activity Relationship Static Electricity
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A systematic approach to prioritize drug targets using machine learning, a molecular descriptor-based classification model, and high-throughput screening of plant derived molecules: a case study in oral cancer.

Molecular bioSystems Dec 1, 2015
Systems-biology inspired identification of drug targets and machine learning-based screening of small molecules which modulate their activity have the potential to revolutionize modern drug discovery by complementing conventional methods. To utilize ...
Humans Machine Learning Drug Discovery Cell Line, Tumor ROC Curve Gene Regulatory Networks Protein Binding Computational Biology Gene Expression Regulation, Neoplastic Antineoplastic Agents, Phytogenic Receptors, CXCR4 Models, Molecular Mouth Neoplasms High-Throughput Screening Assays Molecular Conformation Binding Sites Protein Interaction Mapping
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