Results 11 to 20 of about 2,154,358 (243)
IUCrJ, 2021 findMySequence is presented – a machine-learning method for the identification of unknown proteins and sequence-assignment validation in cryo-EM and X-ray crystallography.
G. Chojnowski +6 more
semanticscholar +1 more source
Nature Communications, 2020 The COVID-19 disease caused by the SARS-CoV-2 coronavirus has become a pandemic health crisis. An attractive target for antiviral inhibitors is the main protease 3CL Mpro due to its essential role in processing the polyproteins translated from viral RNA.
D. Kneller +8 more
semanticscholar +1 more source
Protein X-ray Crystallography and Drug Discovery
Molecules, 2020 With the advent of structural biology in the drug discovery process, medicinal chemists gained the opportunity to use detailed structural information in order to progress screening hits into leads or drug candidates.
L. Maveyraud, L. Mourey
semanticscholar +1 more source
A guide to membrane protein X‐ray crystallography
The FEBS Journal, 2020 Membrane proteins play critical physiological roles in all organisms, from ion transport and signal transduction to multidrug resistance. Elucidating their 3D structures is essential for understanding their functions, and this information can also be ...
A. A. Kermani
semanticscholar +1 more source
Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction. [PDF]
, 2020 Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers.
Holton, James M +3 more
core +2 more sources
IUCrJ, 2020 The viral main protease is indispensable for SARS-CoV-2 replication, and detailed knowledge of its structure and function is crucial to guide structure-aided and computational drug-design efforts. X-ray crystallography is used to reveal the oxidation and
D. Kneller +6 more
semanticscholar +1 more source
The Resolution in X-ray Crystallography and Single-Particle Cryogenic Electron Microscopy
Crystals, 2020 X-ray crystallography and single-particle analysis cryogenic electron microscopy are essential techniques for uncovering the three-dimensional structures of biological macromolecules.
Victor R. A. Dubach, A. Guskov
semanticscholar +1 more source
The structure of protein molecules : in celebration of the International Year of Crystallography, 2014 [PDF]
, 2014 Many people, including laymen, are aware of the double helical nature of the DNA molecule. A few may actually realise that it was the technique of X-ray crystallography that was the key to solving this structure.
Bonetta, Rosalin +4 more
core +1 more source
The LBFGS Quasi-Newtonian Method for Molecular Modeling Prion AGAAAAGA Amyloid Fibrils [PDF]
, 2012 Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein); theoretical ...
Hou, Yating +4 more
core +3 more sources
X-ray lasers and crystallography [PDF]
IUCrJ, 2014 The development of X-ray lasers and their applications in crystallography is described. In the birth of this new field, IUCrJ is ideally positioned to present this research to both specialists in crystallography, and to the wider audience in structural biology.
openaire +5 more sources