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AlphaFold, artificial intelligence (AI), and allostery
R Nussinov, M Zhang, Y Liu, H Jang - The Journal of Physical …, 2022 - ACS Publications
AlphaFold has burst into our lives. A powerful algorithm that underscores the strength of
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
Protein conformational ensembles in function: roles and mechanisms
The sequence-structure-function paradigm has dominated twentieth century molecular
biology. The paradigm tacitly stipulated that for each sequence there exists a single, well …
biology. The paradigm tacitly stipulated that for each sequence there exists a single, well …
Bioinspired catalyst design principles: progress in emulating properties of enzymes in synthetic catalysts
Catalysis enables many aspects of modern life, including fuels, products, plastics, and
medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and …
medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and …
Computing allostery: from the understanding of biomolecular regulation and the discovery of cryptic sites to molecular design
G Colombo - Current Opinion in Structural Biology, 2023 - Elsevier
The concept of allostery has become a central tenet in the study of biological systems. In
parallel, the discovery of allosteric drugs is generating new opportunities to selectively …
parallel, the discovery of allosteric drugs is generating new opportunities to selectively …
CDK2 and CDK4: Cell cycle functions evolve distinct, catalysis-competent conformations, offering drug targets
Cyclin-dependent kinases (CDKs), particularly CDK4 and CDK2, are crucial for cell cycle
progression from the Gap 1 (G1) to the Synthesis (S) phase by phosphorylating targets such …
progression from the Gap 1 (G1) to the Synthesis (S) phase by phosphorylating targets such …
Allosteric drugs: New principles and design approaches
WV Tee, IN Berezovsky - Current Opinion in Structural Biology, 2024 - Elsevier
Focusing on an important biomedical implication of allostery–design of allosteric drugs, we
describe characteristics of allosteric sites, effectors, and their modes of actions …
describe characteristics of allosteric sites, effectors, and their modes of actions …
Molecular glues and induced proximity: An evolution of tools and discovery
SA Robinson, SM Banik - Cell Chemical Biology, 2024 - cell.com
Small molecule molecular glues can nucleate protein complexes and rewire interactomes.
Molecular glues are widely used as probes for understanding functional proximity at a …
Molecular glues are widely used as probes for understanding functional proximity at a …
Designing drugs and chemical probes with the dualsteric approach
J Zha, J He, C Wu, M Zhang, X Liu… - Chemical Society Reviews, 2023 - pubs.rsc.org
Traditionally, drugs are monovalent, targeting only one site on the protein surface. This
includes orthosteric and allosteric drugs, which bind the protein at orthosteric and allosteric …
includes orthosteric and allosteric drugs, which bind the protein at orthosteric and allosteric …
DeepAlloDriver: a deep learning-based strategy to predict cancer driver mutations
Driver mutations can contribute to the initial processes of cancer, and their identification is
crucial for understanding tumorigenesis as well as for molecular drug discovery and …
crucial for understanding tumorigenesis as well as for molecular drug discovery and …
[HTML][HTML] Allostery frustrates the experimentalist
S Gianni, P Jemth - Journal of Molecular Biology, 2023 - Elsevier
Proteins interact with other proteins, with nucleic acids, lipids, carbohydrates and various
small molecules in the living cell. These interactions have been quantified and structurally …
small molecules in the living cell. These interactions have been quantified and structurally …