Results 11 to 20 of about 72,499 (281)
Structurally divergent dynamic combinatorial chemistry on racemic mixtures [PDF]
Nature Communications, 2020 Structurally divergent reactions on racemic mixtures, which produce distinct chemical species from an enantiomeric mixture, are extremely rare in the literature.
Tiberiu-M. Gianga, G. Dan Pantoș
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Combinatorial chemistry in drug discovery [PDF]
Current Opinion in Chemical Biology, 2017 Several combinatorial methods have been developed to create focused or diverse chemical libraries with a wide range of linear or macrocyclic chemical molecules: peptides, non-peptide oligomers, peptidomimetics, small-molecules, and natural product-like organic molecules.
Liu, Ruiwu, Li, Xiaocen, Lam, Kit S
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Protein-Directed Dynamic Combinatorial Chemistry: A Guide to Protein Ligand and Inhibitor Discovery [PDF]
Molecules, 2016 Protein-directed dynamic combinatorial chemistry is an emerging technique for efficient discovery of novel chemical structures for binding to a target protein.
Renjie Huang, Ivanhoe K. H. Leung
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Fermionic Quantum Approximate Optimization Algorithm [PDF]
Physical Review Research 5, 023071 (2023), 2023 Quantum computers are expected to accelerate solving combinatorial optimization problems, including algorithms such as Grover adaptive search and quantum approximate optimization algorithm (QAOA). However, many combinatorial optimization problems involve constraints which, when imposed as soft constraints in the cost function, can negatively impact the
arxiv +1 more source
Library Design in Combinatorial Chemistry by Monte Carlo Methods [PDF]
Phys. Rev. E 61 (2000) 5948-5952, 2000 Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced. The search strategies, derived by analogy with the computer modeling technique of Monte Carlo, effectively search the variable space even in combinatorial chemistry ...
arxiv +1 more source
Fragment Descriptors in Virtual Screening [PDF]
Advances in Combinatorial Chemistry & High Throughput Screening
(2014), 1, 36-59, 2013 This article reviews the application of fragment descriptors at different stages of virtual screening: filtering, similarity search, and direct activity assessment using QSAR/QSPR models. Several case studies are considered. It is demonstrated that the power of fragment descriptors stems from their universality, very high computational efficiency ...
arxiv +1 more source
Biomolecules, 2020 The stability and the degradation of polymers in physiological conditions are very important issues in biomedical applications. The copolymer of hyaluronic acid and poly-D,L-lactic acid (made available in a product called DAC®) produces a hydrogel which ...
Tatiana Guzzo +7 more
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Encoded combinatorial chemistry. [PDF]
Proceedings of the National Academy of Sciences, 1992 The diversity of chemical synthesis and the power of genetics are linked to provide a powerful, versatile method for drug screening. A process of alternating parallel combinatorial synthesis is used to encode individual members of a large library of chemicals with unique nucleotide sequences.
Sydney Brenner, Richard A. Lerner
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Nature Nanotechnology, 2007 This chapter focuses on solid-phase (SP) combinatorial chemistry and libraries, and on their most recent applications in the drug discovery process. The first section provides a short history of combinatorial chemistry, and examines the most relevant trends which appeared recently.
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An overview of the cycloaddition chemistry of fulvenes and emerging applications
Beilstein Journal of Organic Chemistry, 2019 The unusual electronic properties and unique reactivity of fulvenes have interested researchers for over a century. The propensity to form dipolar structures at relatively low temperatures and to participate as various components in cycloaddition ...
Ellen Swan +2 more
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