Results 11 to 20 of about 4,145,178 (349)
Current Pharmaceutical Design, 2014 Molecular Mechanics (MM) force fields are the methods of choice for protein simulations, which are essential in the study of conformational flexibility. Given the importance of protein flexibility in drug binding, MM is involved in most if not all Computational Structure-Based Drug Discovery (CSBDD) projects.
Vanommeslaeghe, Kenno +2 more
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Quantum Zeno-based control mechanism for molecular fragmentation [PDF]
, 2012 A quantum control mechanism is proposed for molecular fragmentation processes within a scenario grounded on the quantum Zeno effect. In particular, we focus on the van der Waals Ne-Br$_2$ complex, which displays two competing dissociation channels via ...
A. S. Sanz +6 more
core +3 more sources
Molecules, 2021 Bacteria contain glycerol phosphate (GroP)-containing glycans, which are important constituents of cell-surface glycopolymers such as the teichoic acids of Gram-positive bacterial cell walls.
Rieko Imae, Hiroshi Manya, Tamao Endo
doaj +1 more source
Gain control in molecular information processing: Lessons from neuroscience [PDF]
, 2011 Statistical properties of environments experienced by biological signaling systems in the real world change, which necessitate adaptive responses to achieve high fidelity information transmission. One form of such adaptive response is gain control.
Berg H +6 more
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The Involvement of ALPK3 in Hypertrophic Cardiomyopathy in East Asia
Frontiers in Medicine, 2022 ObjectiveALPK3 is associated with a recessive form of pediatric cardiomyopathy accompanied by musculoskeletal and craniofacial abnormalities. Heterozygous truncating variants in this gene (ALPK3tv) have recently been confirmed as a cause of autosomal ...
Jiaqi Dai +23 more
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Mechanisms of two-color laser-induced field-free molecular orientation [PDF]
, 2012 Two mechanisms of two-color (\omega + 2\omega) laser-induced field-free molecular orientation, based on the hyperpolarizability and ionization depletion, are explored and compared. The CO molecule is used as a computational example.
Eugene Frumker +9 more
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IL‐7R gene polymorphisms among patients with rheumatoid arthritis: A case–control study
Molecular Genetics & Genomic Medicine, 2019 Background Rheumatoid arthritis (RA) is the most common inflammatory disease which refers to bony erosions and joint destruction largely caused by genetic factors.
Mei Bai +5 more
doaj +1 more source
Digital twin in healthcare: Recent updates and challenges
Digital Health, 2023 As simulation is playing an increasingly important role in medicine, providing the individual patient with a customised diagnosis and treatment is envisaged as part of future precision medicine.
Tianze Sun, Xiwang He, Zhonghai Li
doaj +1 more source
Brain and Behavior, 2020 Aims Stroke is a complicated neurological disease and the second leading cause of death in the world. We aimed to investigate the association between CYP24A1 genetic polymorphisms and ischemic stroke risk.
Wei Yang +9 more
doaj +1 more source
Molecular mechanisms of etoposide
EXCLI journal, 2015 EXCLI Journal ; Vol.
Montecucco A, Zanetta F, Biamonti G
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