AIMC Topic: Peptides

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Analytical chemistry May 1, 2023
Four-dimensional (4D) data-independent acquisition (DIA)-based proteomics is a promising technology. However, its full performance is restricted by the time-consuming building and limited coverage of a project-specific experimental library. Herein, w...
Humans Peptides Proteome HeLa Cells Deep Learning Proteomics
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Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.

Angewandte Chemie (International ed. in English) Apr 27, 2023
Lanthipeptides are ribosomally-synthesized natural products from bacteria featuring stable thioether-crosslinks and various bioactivities. Herein, we report on a new clade of tricyclic class-IV lanthipeptides with curvocidin from Thermomonospora curv...
Ligases Artificial Intelligence Peptides
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Targeting Protein-Protein Interfaces with Peptides: The Contribution of Chemical Combinatorial Peptide Library Approaches.

International journal of molecular sciences Apr 25, 2023
Protein-protein interfaces play fundamental roles in the molecular mechanisms underlying pathophysiological pathways and are important targets for the design of compounds of therapeutic interest. However, the identification of binding sites on protei...
Membrane Proteins Binding Sites Peptide Library Artificial Intelligence Peptides Protein Binding
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Exploiting conformational dynamics to modulate the function of designed proteins.

Proceedings of the National Academy of Sciences of the United States of America Apr 24, 2023
With the recent success in calculating protein structures from amino acid sequences using artificial intelligence-based algorithms, an important next step is to decipher how dynamics is encoded by the primary protein sequence so as to better predict ...
Protein Conformation Ligands Artificial Intelligence Peptides Proteins Amino Acid Sequence
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A historical, economic, and technical-scientific approach to the current crisis in the development of antibacterial drugs: Promising role of antibacterial peptides in this scenario.

Microbial pathogenesis Apr 10, 2023
The emergence of antibiotic resistance (AMR) is a global public health problem. According to estimates, drug-resistant bacteria infect 2 million patients and perish 23,000 annually. To overcome this problem, antimicrobial peptides became a potential ...
Humans Drug Resistance, Bacterial Peptides Artificial Intelligence Anti-Bacterial Agents Bacteria
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Serverless Prediction of Peptide Properties with Recurrent Neural Networks.

Journal of chemical information and modeling Apr 3, 2023
We present three deep learning sequence-based prediction models for peptide properties including hemolysis, solubility, and resistance to nonspecific interactions that achieve comparable results to the state-of-the-art models. Our sequence-based solu...
Peptides Neural Networks, Computer Cloud Computing Machine Learning Reproducibility of Results
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Bacteria-Specific Feature Selection for Enhanced Antimicrobial Peptide Activity Predictions Using Machine-Learning Methods.

Journal of chemical information and modeling Mar 13, 2023
There are several classes of short peptide molecules, known as antimicrobial peptides (AMPs), which are produced during the immune responses of living organisms against various infections. In recent years, substantial progress has been achieved in ap...
Machine Learning Antimicrobial Peptides Peptides Bacteria Escherichia coli
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DeepDetect: Deep Learning of Peptide Detectability Enhanced by Peptide Digestibility and Its Application to DIA Library Reduction.

Analytical chemistry Mar 12, 2023
In tandem mass spectrometry-based proteomics, proteins are digested into peptides by specific protease(s), but generally only a fraction of peptides can be detected. To characterize detectable proteotypic peptides, we have developed a series of metho...
Mice Humans Peptide Hydrolases Peptide Library Tandem Mass Spectrometry Peptides Proteome Deep Learning Saccharomyces cerevisiae Proteins Escherichia coli Animals
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Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems.

Angewandte Chemie (International ed. in English) Feb 14, 2023
Interest in peptide-based supramolecular materials has grown extensively since the 1980s and the application of computational methods has paralleled this. These methods contribute to the understanding of experimental observations based on interaction...
Peptides Artificial Intelligence Machine Learning
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Machine Learning Advances in Predicting Peptide/Protein-Protein Interactions Based on Sequence Information for Lead Peptides Discovery.

Advanced biology Feb 12, 2023
Peptides have shown increasing advantages and significant clinical value in drug discovery and development. With the development of high-throughput technologies and artificial intelligence (AI), machine learning (ML) methods for discovering new lead ...
Drug Discovery Machine Learning Artificial Intelligence Proteins Peptides
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