Results 71 to 80 of about 279,526 (309)
, 2022 To ensure efficiency in discovery and development, the application of computational technology is essential. Although virtual screening techniques are widely applied in the early stages of drug discovery research, the computational methods used in lead ...
Kudo, Genki +7 more
core +1 more source
Probing spatial locality in ionic liquids with the grand canonical adaptive resolution molecular dynamics technique [PDF]
The Journal of Chemical Physics, 2018 We employ the Grand Canonical Adaptive Resolution Simulation (GC-AdResS) molecular dynamics technique to test the spatial locality of the 1-ethyl 3-methyl imidazolium chloride liquid. In GC-AdResS, atomistic details are kept only in an open sub-region of the system while the environment is treated at coarse-grained level; thus, if spatial quantities ...
L. Delle Site +3 more
openaire +3 more sources
FEBS Letters, EarlyView.Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes +4 more
wiley +1 more source
Molecular contrast optical coherence tomography: SNR comparison of techniques and introduction of ground state recovery pump-probe OCT [PDF]
, 2005 Molecular contrast OCT (MCOCT) is an extension of OCT in which specific molecular species are imaged based on their spectroscopic characteristics.
Yang, Changhuei +3 more
core
Advanced methods for enhanced sensing in biomedical Raman spectroscopy
, 2015 Raman spectroscopy is a powerful tool in the field of biomedicine for disease diagnosis owing to its potential to provide the molecular fingerprint of biological samples.
Balagopal, Bavishna
core +1 more source
Tau acetylation at K331 has limited impact on tau pathology in vivo
FEBS Letters, EarlyView.We mapped tau post‐translational modifications in humanized MAPT knock‐in mice and in amyloid‐bearing double knock‐in mice. Acetylation within the repeat domain, particularly around K331, showed modest increases under amyloid pathology. To test functional relevance, we generated MAPTK331Q knock‐in mice.
Shoko Hashimoto +3 more
wiley +1 more source
Simulating molecular cloud regulated star formation in Galaxies [PDF]
, 2007 This thesis is primarily concerned with understanding the process of galaxy formation via the simulation of the interstellar medium, star formation and supernova feedback.
Booth, Craig Martin
core
, 2005 The dissertation describes the development of europium-derived fluorescence probes for biological substances in aqueous solution. A scheme is shown in Fig. 7.1.
Lin, Zhihong
core +1 more source
Label-free phenotypic profiling identified D-luciferin as a GPR35 agonist. [PDF]
PLoS ONE, 2012 Fluorescent and luminescent probes are essential to both in vitro molecular assays and in vivo imaging techniques, and have been extensively used to measure biological function.
Haibei Hu, Huayun Deng, Ye Fang
doaj +1 more source
Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source