Results 21 to 30 of about 26,891,998 (226)
Loss of Wiz Function Affects Methylation Pattern in Palate Development and Leads to Cleft Palate
Frontiers in Cell and Developmental Biology, 2021 WIZ (Widely Interspaced Zinc Finger) is associated with the G9a-GLP protein complex, a key H3K9 methyltransferase suggesting a role in transcriptional repression. However, its role in embryonic development is poorly described. In order to assess the loss
Ivana Bukova +6 more
doaj +1 more source
Torsional Diffusion for Molecular Conformer Generation [PDF]
Neural Information Processing Systems, 2022 Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods.
Bowen Jing +4 more
semanticscholar +1 more source
CRISPR/Cas9 Epigenome Editing Potential for Rare Imprinting Diseases: A Review
Cells, 2020 Imprinting diseases (IDs) are rare congenital disorders caused by aberrant dosages of imprinted genes. Rare IDs are comprised by a group of several distinct disorders that share a great deal of homology in terms of genetic etiologies and symptoms ...
Linn Amanda Syding +3 more
doaj +1 more source
Early evolution of enamel matrix proteins is reflected by pleiotropy of physiological functions
Scientific Reports, 2023 Highly specialized enamel matrix proteins (EMPs) are predominantly expressed in odontogenic tissues and diverged from common ancestral gene. They are crucial for the maturation of enamel and its extreme complexity in multiple independent lineages ...
Frantisek Spoutil +13 more
doaj +1 more source
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models [PDF]
Frontiers in Pharmacology, 2018 Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties.
Daniil A Polykovskiy +13 more
semanticscholar +1 more source
GuacaMol: Benchmarking Models for De Novo Molecular Design [PDF]
Journal of Chemical Information and Modeling, 2018 De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on neural ...
Nathan Brown +3 more
semanticscholar +1 more source
Molecular mimicry and cancer vaccine development
Molecular Cancer, 2023 Background The development of cancer immunotherapeutic strategies relies on the identification and validation of optimal target tumor antigens, which should be tumor-specific as well as able to elicit a swift and potent anti-tumor immune response.
Maria Tagliamonte +6 more
doaj +1 more source
Scientific Reports, 2023 Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, it has developed into a formidable tool for drug development.
P. Agu +7 more
semanticscholar +1 more source
MOLECULAR MODELS FOR EXPLOSIVES [PDF]
Le Journal de Physique Colloques, 1987 Molecular properties of various kinds have been obtained for explosives. Crystal density calculations, performed by entirely empirical methods, for nitrates and perchlorates are presented. Heats of formation, geometries, and bond dissociation (BDE's) energies were obtained for several explosives, using the semi-empirical AM1 molecular orbital method ...
Ritchie, J.P., Bachrach, S.M.
openaire +3 more sources
Many-body models for molecular nanomagnets [PDF]
, 2012 We present a flexible and effective ab-initio scheme to build many-body models for molecular nanomagnets, and to calculate magnetic exchange couplings and zero-field splittings.
Amoretti, G. +4 more
core +2 more sources