Results 1 to 10 of about 2,066,004 (263)
Protein design and RNA design: Perspectives. [PDF]
Quant BiolAbstract Advances in deep learning and generative modeling have transformed the landscape of protein and RNA design, enabling rapid and precise creation of novel biomolecules with tailored structures and functions. In protein design, generative deep learning frameworks now support backbone generation, sequence optimization, and joint ...
Chen X, Dai X, Lu P.
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Computational protein design [PDF]
Nature Reviews Methods PrimersCombining molecular modelling, machine-learned models and an increasingly detailed understanding of protein chemistry and physics, computational protein design and human expertise have been able to produce new protein structures, assemblies and functions that do not exist in nature. Currently, generative deep-learning-based methods, which exploit large
Thomas Schiex +2 more
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Consistency principle for protein design
Biophysics and Physicobiology, 2019 Protein design holds promise for applications such as the control of cells, therapeutics, new enzymes and protein-based materials. Recently, there has been progress in rational design of protein molecules, and a lot of attempts have been made to create ...
Rie Koga, Nobuyasu Koga
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Applying computational protein design to therapeutic antibody discovery - current state and perspectives [PDF]
Frontiers in ImmunologyMachine learning applications in protein sciences have ushered in a new era for designing molecules in silico. Antibodies, which currently form the largest group of biologics in clinical use, stand to benefit greatly from this shift.
Weronika Bielska +12 more
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Nature Communications, 2021 Despite recent success in computational design of structured cyclic peptides, de novo design of cyclic peptides that bind to any protein functional site remains difficult.
Parisa Hosseinzadeh +17 more
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Designing repeat proteins: a modular approach to protein design [PDF]
Current Opinion in Structural Biology, 2017 Repeat proteins present unique opportunities for engineering because of their modular nature that potentially allows LEGO® like construction of macromolecules. Nature takes advantage of these properties and uses this type of scaffold for recognition, structure, and even signaling purposes.
Parmeggiani, Fabio, Huang, Po-Ssu
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Improved protein structure refinement guided by deep learning based accuracy estimation
Nature Communications, 2021 Here the authors present DeepAccNet, a deep learning framework that estimates per-residue accuracy and residue-residue distance signed error in protein models, which are used to guide Rosetta protein structure refinement.
Naozumi Hiranuma +5 more
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Scientific Reports, 2022 The blood–brain barrier (BBB) greatly limits the delivery of protein-based drugs into the brain and is a major obstacle for the treatment of brain disorders. Targeting the transferrin receptor (TfR) is a strategy for transporting protein-based drugs into
Andrés de la Rosa +8 more
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A rational blueprint for the design of chemically-controlled protein switches
Nature Communications, 2021 Small-molecule responsive protein switches are crucial components to control synthetic cellular activities. Here, we present a computational protein design strategy to repurpose drug-inhibited protein-protein interactions into OFF- and ON-switches active
Sailan Shui +10 more
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