Solubility-Aware Protein Binding Peptide Design Using AlphaFold [PDF]
Biomedicines, 2022 New protein–protein interactions (PPIs) are identified, but PPIs have different physicochemical properties compared with conventional targets, making it difficult to use small molecules.
Takatsugu Kosugi, Masahito Ohue
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Deep Learning for Novel Antimicrobial Peptide Design [PDF]
Biomolecules, 2021 Antimicrobial resistance is an increasing issue in healthcare as the overuse of antibacterial agents rises during the COVID-19 pandemic. The need for new antibiotics is high, while the arsenal of available agents is decreasing, especially for the ...
Christina Wang, Sam Garlick, Mire Zloh
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Expanding the Landscape of Amino Acid-Rich Antimicrobial Peptides: Definition, Deployment in Nature, Implications for Peptide Design and Therapeutic Potential [PDF]
International Journal of Molecular Sciences, 2022 Unlike the α-helical and β-sheet antimicrobial peptides (AMPs), our knowledge on amino acid-rich AMPs is limited. This article conducts a systematic study of rich AMPs (>25%) from different life kingdoms based on the Antimicrobial Peptide Database (APD ...
Guangshun Wang +2 more
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Towards rational computational peptide design [PDF]
Front Bioinform, 2022 Peptides are prevalent in biology, mediating as many as 40% of protein-protein interactions, and involved in other cellular functions such as transport and signaling.
Liwei Chang, Arup Mondal, Alberto Perez
semanticscholar +2 more sources
Peptide Design for Enhanced Anti-Melanogenesis: Optimizing Molecular Weight, Polarity, and Cyclization [PDF]
Drug Des Devel TherMelanogenesis is a biochemical process that regulates skin pigmentation, which is crucial role in protecting against ultraviolet radiation. It is also associated with hyperpigmentation conditions such as melasma and age spots, which negatively impact ...
Selvi Apriliana Putri +3 more
semanticscholar +2 more sources
Peptide design to control protein–protein interactions
Chem Soc RevTargeting of protein–protein interactions has become of huge interest in every aspect of medicinal and biological sciences. The control of protein interactions selectively offers the opportunity to control biological processes while limiting off target ...
Suzanne P. van Wier, A. Beekman
semanticscholar +2 more sources
Rational peptide design for regulating liquid–liquid phase separation on the basis of residue–residue contact energy [PDF]
Sci Rep, 2022 Since liquid–liquid phase separation (LLPS) of proteins is governed by their intrinsically disordered regions (IDRs), it can be controlled by LLPS-regulators that bind to the IDRs.
K. Kamagata +7 more
semanticscholar +2 more sources
Helical structure motifs made searchable for functional peptide design [PDF]
Nat Commun, 2022 The systematic design of functional peptides has technological and therapeutic applications. However, there is a need for pattern-based search engines that help locate desired functional motifs in primary sequences regardless of their evolutionary ...
Cheng-Yu Tsai +20 more
semanticscholar +2 more sources
PepINVENT: generative peptide design beyond natural amino acids [PDF]
Chem SciPeptides play a crucial role in drug design and discovery whether as a therapeutic modality or a delivery agent. Non-natural amino acids (NNAAs) have been used to enhance the peptide properties such as binding affinity, plasma stability and permeability.
Gökçe Geylan +9 more
semanticscholar +2 more sources
Deep generative models for peptide design
Digit Discov, 2022 Computers can already be programmed for superhuman pattern recognition of images and text. For machines to discover novel molecules, they must first be trained to sort through the many characteristics of molecules and determine which properties should be
Fangping Wan +2 more
semanticscholar +2 more sources