Results 1 to 10 of about 12,290,186 (120)
Small molecules in targeted cancer therapy: advances, challenges, and future perspectives
Signal Transduction and Targeted Therapy, 2021 Due to the advantages in efficacy and safety compared with traditional chemotherapy drugs, targeted therapeutic drugs have become mainstream cancer treatments.
L. Zhong +10 more
semanticscholar +1 more source
Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets [PDF]
Nature, 2017 Quantum computers can be used to address electronic-structure problems and problems in materials science and condensed matter physics that can be formulated as interacting fermionic problems, problems which stretch the limits of existing high-performance
A. Kandala +6 more
semanticscholar +1 more source
Targeting RNA structures with small molecules
Nature reviews. Drug discovery, 2022 RNA adopts 3D structures that confer varied functional roles in human biology and dysfunction in disease. Approaches to therapeutically target RNA structures with small molecules are being actively pursued, aided by key advances in the field including ...
Jessica L. Childs‐Disney +5 more
semanticscholar +1 more source
A Functional Group-Guided Approach to Aptamers for Small Molecules
Science, 2023 Aptameric receptors are important biosensor components, yet our ability to identify them depends on the target structures. We analyzed the contributions of individual functional groups on small molecules to binding within 27 target-aptamer pairs ...
Kyungae Yang +14 more
semanticscholar +1 more source
Survivin Small Molecules Inhibitors: Recent Advances and Challenges
Molecules, 2023 Survivin, as a member of the inhibitor of apoptosis proteins (IAPs) family, acts as a suppressor of apoptosis and plays a central role in cell division.
Najah Albadari, Wei Li
semanticscholar +1 more source
Deubiquitinases: From mechanisms to their inhibition by small molecules.
Molecules and Cells, 2021 Deubiquitinases (DUBs) are specialized proteases that remove ubiquitin from substrates or cleave within ubiquitin chains to regulate ubiquitylation and therefore play important roles in eukaryotic biology.
S. Lange, Lee A. Armstrong, Y. Kulathu
semanticscholar +1 more source
Nucleic Acids Res., 2019 SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on the similarity principle, through reverse screening.
A. Daina, O. Michielin, V. Zoete
semanticscholar +1 more source
Scientific Reports, 2017 To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur.
A. Daina, O. Michielin, V. Zoete
semanticscholar +1 more source
Martini 3 Coarse‐Grained Force Field: Small Molecules
Advanced Theory and Simulations, 2021 The recent re‐parametrization of the Martini coarse‐grained force field, Martini 3, improved the accuracy of the model in predicting molecular packing and interactions in molecular dynamics simulations.
Riccardo Alessandri +6 more
semanticscholar +1 more source
Small molecules in the treatment of COVID-19
Signal Transduction and Targeted Therapy, 2022 The outbreak of COVID-19 has become a global crisis, and brought severe disruptions to societies and economies. Until now, effective therapeutics against COVID-19 are in high demand.
Sibei Lei +4 more
semanticscholar +1 more source