Results 51 to 60 of about 115,710,970 (297)
Molecular Oncology, EarlyView.Matched spatial transcriptomics and single‐nuclei RNA‐seq were generated for anaplastic and BRAFV600E papillary thyroid cancers revealing generic and tumor‐specific states occurring in cancer cells and in the tumor microenvironment. In this context, cancer dedifferentiation mirrored organoid maturation through ordered thyroid marker gain/loss ...
Adrien Tourneur +11 more
wiley +1 more source
The acceptance of
, 2011 In silico models have prompted considerable interest and debate because of their potential value in predicting the properties of chemical substances for regulatory purposes.
Antonio Cassano +31 more
core +1 more source
Proceedings of Formal Methods in Computer-Aided Design, FMCAD 2023
, 2023 The Conference on Formal Methods in Computer-Aided Design (FMCAD) is an annual conference on the theory and applications of formal methods in hardware and system in academia and industry for presenting and discussing groundbreaking methods, technologies,
Formal Methods in Computer Aided Design
core +1 more source
Indole: A promising scaffold for the discovery and development of potential anti-tubercular agents
Current Research in Pharmacology and Drug Discovery, 2022 Indole-containing small molecules have been reported to have diverse pharmacological activities. The aromatic heterocyclic scaffold, which resembles various protein structures, has received attention from organic and medicinal chemists.
Nilesh Gajanan Bajad +4 more
doaj +1 more source
In Silico Design of a Peptidomimetic Carrier for Levodopa
International Journal of Biomedical Science, 2011 Ab initio molecular orbital calculations at the Hartree Fock level utilizing 6-31G basis set have been performed on small cyclic peptides and peptidomimetic compounds to explore their utility as carriers of levodopa (L-3,4-dihydroxyphenylalanine) to enhance its brain bioavailability.
A, Banerjee, A, Yadav
openaire +2 more sources
Molecular Oncology, EarlyView.Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq +8 more
wiley +1 more source
Artificial Intelligence in the Life Sciences, 2023 One of the common strategies to identify novel chemical matter in drug discovery consists in performing a High Throughput Screening (HTS). However, the large amount of data generated at the dose-response (DR) step of an HTS campaign requires a careful ...
Marc Bianciotto +6 more
doaj +1 more source
In silico product design of pharmaceuticals [PDF]
Asian Journal of Pharmaceutical Sciences, 2016 AbstractThe increasing demand for personalized medicine necessitates the production of easily customizable dosage forms. As the number of possible dosage forms may scale toward infinity, their uniqueness requires a versatile production platform and numerical simulation in order to be manufactured efficiently. A mathematical description of these systems
Boetker, Johan +9 more
openaire +3 more sources
Directed evolution of enzymes at the crossroads of tradition and innovation
FEBS Open Bio, EarlyView.An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova +2 more
wiley +1 more source
In silico methods for design of biological therapeutics
Methods, 2017 It has been twenty years since the first rationally designed small molecule drug was introduced into the market. Since then, we have progressed from designing small molecules to designing biotherapeutics. This class of therapeutics includes designed proteins, peptides and nucleic acids that could more effectively combat drug resistance and even act in ...
Ankit Roy +4 more
openaire +2 more sources