Results 41 to 50 of about 21,602 (293)
Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins
IUCrJ, 2019 An approach is demonstrated to obtain, in a sample- and time-efficient manner, multiple dose-resolved crystal structures from room-temperature protein microcrystals using identical fixed-target supports at both synchrotrons and X-ray free-electron lasers
Ali Ebrahim +14 more
doaj +1 more source
Design of metalloproteins and novel protein folds using variational autoencoders [PDF]
Scientific Reports 8:16189 (2018), 2018 The design of novel proteins has many applications but remains an attritional process with success in isolated cases. Meanwhile, deep learning technologies have exploded in popularity in recent years and are increasingly applicable to biology due to the rise in available data.
arxiv +1 more source
Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units [PDF]
, 2014 O-Alkylation of the flexible thiacalix[4]arene 1 with 2-chloromethyl-1-methyl-1H-imidazole 2 in the presence of Na₂CO₃ or K₂CO₃ afforded mono-O-alkylation product 3 in 29–51% yield, along with recovery of the starting compound.
Elsegood, Mark R. J. +8 more
core +3 more sources
Metalloprotein‐based MRI probes [PDF]
FEBS Letters, 2013 Metalloproteins have long been recognized as key determinants of endogenous contrast in magnetic resonance imaging (MRI) of biological subjects. More recently, both natural and engineered metalloproteins have been harnessed as biotechnological tools to probe gene expression, enzyme activity, and analyte concentrations by MRI.
Matsumoto, Yuri, Jasanoff, Alan Pradip
openaire +5 more sources
Is the olfactory receptor a metalloprotein? [PDF]
Proceedings of the National Academy of Sciences, 2003 The sense of smell is arguably our most primal faculty and also the least understood. Even our own olfactorily impaired species is capable of detecting ≈10,000 distinct scents [Buck, L. & Axel, R. (1991)Cell65, 175–187]. To achieve that amazing diversity, mammals have ≈1,000 olfactory genes, which accounts for ≈3% of their entire genome [Mombaerts,
Zaida Luthey-Schulten +2 more
openaire +3 more sources
The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study
Frontiers in Chemistry, 2017 Erroneous activation of the Hedgehog pathway has been linked to a great amount of cancerous diseases and therefore a large number of studies aiming at its inhibition have been carried out. One leverage point for novel therapeutic strategies targeting the
Manuel Hitzenberger +3 more
doaj +1 more source
, 2010 We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with multiple-scattering theory.
Boscherini, F. +6 more
core +1 more source
Frontiers in Chemistry, 2021 The development of accurate and efficient potential energy functions for the molecular dynamics simulation of metalloproteins has long been a great challenge for the theoretical chemistry community.
Mingyuan Xu +6 more
doaj +1 more source
A Theoretical Study of the Electrochemical Gate Effect in a STM-based biomolecular transistor [PDF]
, 2006 ElectroChemical Scanning Tunneling Microscopy (ECSTM) is gaining popularity as a tool to implement proof-of-concept single (bio)molecular transistors. The understanding of such systems requires a discussion of the mechanism of the electrochemical current gating, which is intimately related to the electrostatic potential distribution in the tip ...
arxiv +1 more source
Structure and Dynamics of Metalloproteins in Live Cells [PDF]
, 2008 X-ray absorption spectroscopy (XAS) has emerged as one of the premier tools for investigating the structure and dynamic properties of metals in cells and in metal containing biomolecules. Utilizing the high flux and broad energy range of X-rays supplied
Cook, Jeremy D. +2 more
core +2 more sources