Results 11 to 20 of about 1,439 (210)
Routine phasing of coiled-coil protein crystal structures with AMPLE
IUCrJ, 2015 Coiled-coil protein folds are among the most abundant in nature. These folds consist of long wound α-helices and are architecturally simple, but paradoxically their crystallographic structures are notoriously difficult to solve with molecular-replacement
Jens M. H. Thomas +5 more
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Trial Direct Phasing Calculation of A Thyroid Hormone Receptor Alpha Structure (4LNW)
Crystals, 2019 A thyroid receptor alpha structure (PDB ID: 4LNW) was studied for ab initio phasing. With the diffraction intensity data, protein sequence, and ligand structure as the only input, a high-resolution structure was successfully reconstructed by using an ...
Mengchao Jiang, Hongxing He, Wu-Pei Su
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Draft crystal structure of the vault shell at 9-A resolution. [PDF]
PLoS Biology, 2007 Vaults are the largest known cytoplasmic ribonucleoprotein structures and may function in innate immunity. The vault shell self-assembles from 96 copies of major vault protein and encapsulates two other proteins and a small RNA. We crystallized rat liver
Daniel H Anderson +4 more
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Ab initio theory of helix↔coil phase transition [PDF]
The European Physical Journal D, 2007 In this paper we suggest a theoretical method based on the statistical mechanics for treating the alpha-helix-random coil transition in alanine polypeptides. We consider this process as a first-order phase transition and develop a theory which is free of model parameters and is based solely on fundamental physical principles.
Yakubovich, Alexander V. +3 more
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Ab initio machine learning of phase space averages
The Journal of Chemical Physics, 2022 Equilibrium structures determine material properties and biochemical functions. We here propose to machine learn phase space averages, conventionally obtained by ab initio or force-field-based molecular dynamics (MD) or Monte Carlo (MC) simulations. In analogy to ab initio MD, our ab initio machine learning (AIML) model does not require bond topologies
Jan Weinreich +3 more
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Ab initio spatial phase retrieval via intensity triple correlations
Optics Express, 2023 Second-order intensity correlations from incoherent emitters can reveal the Fourier transform modulus of their spatial distribution, but retrieving the phase to enable completely general Fourier inversion to real space remains challenging. Phase retrieval via the third-order intensity correlations has relied on special emitter configurations which ...
Peard, Nolan Hamilton +2 more
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Direct Phasing of Protein Crystals with Non-Crystallographic Symmetry
Crystals, 2019 An iterative projection algorithm proposed previously for direct phasing of high-solvent-content protein crystals is extended to include non-crystallographic symmetry (NCS) averaging.
Hongxing He, Mengchao Jiang, Wu-Pei Su
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Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ
IUCrJ, 2019 The ice-nucleation protein InaZ from Pseudomonas syringae contains a large number of degenerate repeats that span more than a quarter of its sequence and include the segment GSTSTA.
Chih-Te Zee +8 more
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Ab Initio Undersampled Phase Retrieval [PDF]
Microscopy and Microanalysis, 2009 Extended abstract of a paper presented at Microscopy and Microanalysis 2009 in Richmond, Virginia, USA, July 26 – July 30 ...
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Resolution Dependence of an Ab Initio Phasing Method in Protein X-ray Crystallography
Crystals, 2018 For direct phasing of protein crystals, a method based on the hybrid-input-output (HIO) algorithm has been proposed and tested on a variety of structures.
Mengchao Jiang +3 more
doaj +1 more source