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In Silico Design of Anticancer Peptides
2017In the past few years, small peptides having anticancer properties have emerged as a potential avenue for cancer therapy. Compared to current anti-cancer chemotherapeutic drugs (or small molecules), anticancer peptides (ACPs) have numerous advantageous properties, such as high specificity, low production cost, high tumor penetration, ease of synthesis ...
Shailesh, Kumar, Hui, Li
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Computational design of peptide ligands
Trends in Biotechnology, 2011Peptides possess several attractive features when compared to small molecule and protein therapeutics, such as high structural compatibility with target proteins, the ability to disrupt protein-protein interfaces, and small size. Efficient design of high-affinity peptide ligands via rational methods has been a major obstacle to the development of this ...
Peter, Vanhee +5 more
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Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension
International Conference on Learning RepresentationsPeptides, short chains of amino acids, interact with target proteins, making them a unique class of protein-based therapeutics for treating human diseases. Recently, deep generative models have shown great promise in peptide generation.
Jiahan Li +9 more
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Biochemical and Biophysical Research Communications, 1995
A synthetic octapeptide, Boc-Leu-Val-Val-D-Pro-Gly-Leu-Val-Val-OMe (1) has been designed as a model for a beta-hairpin conformation. Circular dichroism spectra in various organic solvents reveal a single negative band at 214-217 nm consistent with beta-sheet structures.
Awasthi, Satish K +2 more
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A synthetic octapeptide, Boc-Leu-Val-Val-D-Pro-Gly-Leu-Val-Val-OMe (1) has been designed as a model for a beta-hairpin conformation. Circular dichroism spectra in various organic solvents reveal a single negative band at 214-217 nm consistent with beta-sheet structures.
Awasthi, Satish K +2 more
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Designing peptide based nanomaterials
Chemical Society Reviews, 2008This tutorial review looks at the design rules that allow peptides to be exploited as building blocks for the assembly of nanomaterials. These design rules are either derived by copying nature (alpha-helix, beta-sheet) or may exploit entirely new designs based on peptide derivatives (peptide amphiphiles, pi-stacking systems).
Ulijn, Rein V., Smith, Andrew M.
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Multidimensional Design of Anticancer Peptides
Angewandte Chemie International Edition, 2015AbstractThe computer‐assisted design and optimization of peptides with selective cancer cell killing activity was achieved through merging the features of anticancer peptides, cell‐penetrating peptides, and tumor‐homing peptides. Machine‐learning classifiers identified candidate peptides that possess the predicted properties.
Lin YC +9 more
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Design of Peptides and Proteins
1988Publisher Summary This chapter focuses on contemporary approaches to the design of structurally defined peptides and proteins with special emphasis being given to the ways in which this approach has elucidated the structural basis for the function of a variety of natural molecules.
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Design of Synthetic Peptides for Diagnostics
Current Protein & Peptide Science, 2003Due to the advantageous properties of synthetic molecules compared to biological ones biological molecules in diagnostic tests are replaced increasingly by synthetic ones, usually synthetic peptides or related molecules. The replacement of biological antigens by synthetic peptides is most advanced at present, as well as the use of site-specific ...
R H, Meloen +4 more
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Computational Design of Peptide Assemblies
Journal of Chemical Theory and ComputationWith the ongoing development of peptide self-assembling materials, there is growing interest in exploring novel functional peptide sequences. From short peptides to long polypeptides, as the functionality increases, the sequence space is also expanding exponentially.
Jiwei Min +5 more
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