Results 11 to 20 of about 321,930 (219)
Journal of Cheminformatics, 2019 Owing to the increase in freely available software and data for cheminformatics and structural bioinformatics, research for computer-aided drug design (CADD) is more and more built on modular, reproducible, and easy-to-share pipelines.
Dominique Sydow +3 more
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Insulin sensitivity in critically ill patients: are women more insulin resistant?
Annals of Intensive Care, 2021 Background Glycaemic control (GC) in intensive care unit is challenging due to significant inter- and intra-patient variability, leading to increased risk of hypoglycaemia. Recent work showed higher insulin resistance in female preterm neonates.
Vincent Uyttendaele +5 more
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How can we discover developable antibody-based biotherapeutics?
Frontiers in Molecular Biosciences, 2023 Antibody-based biotherapeutics have emerged as a successful class of pharmaceuticals despite significant challenges and risks to their discovery and development.
Joschka Bauer +10 more
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Reducing the Complexity of Musculoskeletal Models Using Gaussian Process Emulators
Applied Sciences, 2022 Musculoskeletal models (MSKMs) are used to estimate the muscle and joint forces involved in human locomotion, often associated with the onset of degenerative musculoskeletal pathologies (e.g., osteoarthritis).
Ivan Benemerito +3 more
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Global reactivity models are impactful in industrial synthesis applications
Journal of Cheminformatics, 2023 Artificial Intelligence is revolutionizing many aspects of the pharmaceutical industry. Deep learning models are now routinely applied to guide drug discovery projects leading to faster and improved findings, but there are still many tasks with enormous ...
Paulo Neves +8 more
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Cancer Informatics, 2015 Intensive glioma tumor infiltration into the surrounding normal brain tissues is one of the most critical causes of glioma treatment failure. To quantitatively understand and mathematically simulate this phenomenon, several diffusion-based mathematical ...
Markos Antonopoulos, Georgios Stamatakos
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Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Applied Sciences, 2022 Finite element (FE) analyses contribute to a better understanding of the human lumbar spine’s biomechanics and serve as an effective predictive tool.
Mate Turbucz +6 more
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Structure‐forward targeting of claudins with synthetic binders
FEBS Letters, EarlyView.Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley +1 more source
AN EXAMPLE OF TEMPLATE BASED PROTEIN STRUCTURE MODELING BY GLOBAL OPTIMIZATION
TASK Quarterly, 2016 CASP (Critical Assessment of protein Structure Prediction) is a community-wide experiment for protein structure prediction taking place every two years since 1994.
KEEHYOUNG JOO, INSUK JOUNG, JOOYOUNG LEE
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