Results 31 to 40 of about 4,050 (238)
Computer-Assisted Structure Elucidation for Organic Compound.
Journal of Synthetic Organic Chemistry, Japan, 1993 Kimito FUNATSU
openaire +3 more sources
Chemoinformatics: Achievements and Challenges, a Personal View
Molecules, 2016 Chemoinformatics provides computer methods for learning from chemical data and for modeling tasks a chemist is facing. The field has evolved in the past 50 years and has substantially shaped how chemical research is performed by providing access to ...
Johann Gasteiger
doaj +1 more source
, 2020 Four new alkaloids (1-4) and one known alkaloid were isolated from the stems of Picrasma quassioides. The structures of these isolated compounds were elucidated by spectroscopic analyses, a combination of computer-assisted structure elucidation software (
Shao-Jiang Song (1548220) +5 more
core +1 more source
Journal of Cheminformatics, 2012 Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental ...
Peironcely Julio E +6 more
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Slides: Computer-Assisted Structure Elucidation, W4E Course, Institute Pasteur, Paris, 11-10-2018
, 2018 Slides for a talk on computer-assisted structure elucidation (CASE) delivered by Prof. Dr. Christoph Steinbeck, Friedrich-Schiller-University Jena, at the occasion of the Workflows4Eperimenters course at the Institute Pasteur in Paris, 11.
Christoph Steinbeck (715640)
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Exchangeable apolipoproteins of insects share a common structural motif.
Journal of Lipid Research, 1994 Elucidation of the secondary structure of the exchangeable apolipoproteins has been hindered by the difficulty in producing crystals suitable for X-ray spectrographic analyses.
A.F Smith +6 more
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
Natural product-likeness score revisited: an open-source, open-data implementation
BMC Bioinformatics, 2012 Background Natural product-likeness of a molecule, i.e. similarity of this molecule to the structure space covered by natural products, is a useful criterion in screening compound libraries and in designing new lead compounds.
Jayaseelan Kalai Vanii +4 more
doaj +1 more source
FEBS Letters, EarlyView.Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura +2 more
wiley +1 more source
High-throughput SEM imaging of nanoscale metal grains for heat assisted magnetic recording [PDF]
AIP AdvancesDevelopment of nanoscale magnetic and plasmonic materials for applications such as Heat Assisted Magnetic Recording requires precise control and understanding of the materials’ microstructure.
Matthew R. Hauwiller +9 more
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