Results 261 to 270 of about 15,341,682 (292)

Molecular design of peptides

International Journal of Peptide and Protein Research, 1993
The peptide N‐Boc‐l‐Phe‐dehydro‐Abu‐NH‐CH3 was synthesized by the usual workup procedure. The crystals grown from methanol at 4°C belong to the space group P212121 with a= 7.589(2), b= 13.690(4), c= 21.897(6) Å, Z= 4 and dc= 1.149(5) g cm−3 for C19H29N3O5·CH3OH. The peptide crystals were highly sensitive to radiation. The final agreement factor R was 0.
T.P. SINGH, P. NARULA
openaire   +1 more source

Design of nonpeptides from peptide ligands for peptide receptors

2002
Publisher Summary To develop nonpeptide ligands, efforts are in progress to develop templates and aspects of conformational design that permit assembling of all components necessary for molecular recognition and transduction. The proper choice of template that can place the key side chain residue in 3D space is still difficult, and thus only partial ...
Victor J, Hruby, Wei, Qui, Toru, Okayama, Vadim A, Soloshonok   +3 more
openaire   +2 more sources

Designing of Peptide Substrates

Haemostasis, 2009
Chromogenic peptide substrates for serine proteases have been designed by using two approaches: (1) by using the natural substrate as a model and (2) by structure-activity correlations obtained through screening of a large number of tripeptides. Some recent examples, substrates for kallikreins and urokinase are given.
Göran Claeson, Leif Aurell, Petter Friberger, Stig Gustavsson, Gunilla Karlsson   +4 more
openaire   +1 more source

Cyclic peptide structure prediction and design using AlphaFold2

Nature Communications
Small cyclic peptides have gained significant traction as a therapeutic modality; however, the development of deep learning methods for accurately designing such peptides has been slow, mostly due to the lack of sufficiently large training sets. Here, we
Stephen A. Rettie, Katelyn V. Campbell, A. Bera, A. Kang, Simon Kozlov, Yensi Flores Bueso, Joshmyn De La Cruz, Maggie Ahlrichs, Suna Cheng, Stacey R. Gerben, M. Lamb, Analisa Murray, V. Adebomi, Guangfeng Zhou, F. Dimaio, Sergey Ovchinnikov, Gaurav Bhardwaj   +16 more
semanticscholar   +1 more source

Machine learning for antimicrobial peptide identification and design

Nature Reviews Bioengineering
Artificial intelligence (AI) and machine learning (ML) models are being deployed in many domains of society and have recently reached the field of drug discovery.
Fangping Wan, Felix Wong, James J. Collins, César de la Fuente-Núñez   +3 more
semanticscholar   +1 more source

Design of target specific peptide inhibitors using generative deep learning and molecular dynamics simulations

Nature Communications
We introduce a computational approach for the design of target-specific peptides. Our method integrates a Gated Recurrent Unit-based Variational Autoencoder with Rosetta FlexPepDock for peptide sequence generation and binding affinity assessment ...
Sijie Chen, Tong Lin, R. Basu, Jeremy L Ritchey, Shen Wang, Yi Luo, Xingcan Li, Dehua Pei, L. Kara, Xiaolin Cheng   +9 more
semanticscholar   +1 more source

Peptide design

Nature, 1994
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Peptide design through binding interface mimicry with PepMimic

Nature Biomedical Engineering
Xiangzhe Kong, Rui Jiao, Haowei Lin, Ruihan Guo, Wenbing Huang, Wei-Ying Ma, Zihua Wang, Yang Liu, Jianzhu Ma   +8 more
semanticscholar   +1 more source

Biofunctional peptide design

2013
De novo peptide design provides an efficient strategy to emulate native folding elements. Polypeptide sequences are arranged into secondary structure oligomers, which can be continuous, that is belonging to one sequence, non-covalent, but monodisperse and autonomously folded, and supramolecular leading to nanostructured assemblies, which are not ...
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De novo design of modular peptide-binding proteins by superhelical matching

Nature, 2023
David Baker, Hua Bai, Damian Ekiert
exaly