Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
Citations
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Journal ArticleDOI
Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat
Thomas Bartossek,Nicola G. Jones,Christin Schäfer,Mislav Cvitković,Marius Glogger,Helen R. Mott,Jochen Kuper,Martha Brennich,Mark Carrington,Ana-Sunčana Smith,Susanne F. Fenz,Caroline Kisker,Markus Engstler +12 more
TL;DR: The structures of a variant surface glycoprotein (VSG) from Trypanosoma brucei suggest that VSGs adopt different conformations to respond to obstacles present in the cell membrane, enabling them to maintain a protective coat at all times.
Journal ArticleDOI
Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Luigi Scietti,Antonella Chiapparino,Francesca De Giorgi,Marco Fumagalli,L. Khoriauli,Solomon G. Nergadze,Shibom Basu,Vincent Olieric,Lucia Cucca,Blerida Banushi,Blerida Banushi,Antonella Profumo,Elena Giulotto,Paul Gissen,Paul Gissen,Federico Forneris +15 more
TL;DR: High resolution crystal structures of full-length human LH3 in complex with cofactors and donor substrates are presented to provide mechanistic insights into the lysyl hydroxylase and glycosyltransferase activities of LH3.
Journal ArticleDOI
Solution Scattering and FRET Studies on Nucleosomes Reveal DNA Unwrapping Effects of H3 and H4 Tail Removal
TL;DR: The role of the H3 and H4 histone tails, independently, in stabilizing the nucleosome DNA terminal ends from unwrapping from theucleosome core is determined using a combination of small-angle X-ray scattering (SAXS) and FRET measurements.
Journal ArticleDOI
High Concentration Formulation Studies of an IgG2 Antibody Using Small Angle X-ray Scattering
TL;DR: SAXS analysis resolves simultaneous attractive and repulsive interactions, and details the effect of excipients on the interactions, while providing three-dimensional structural information from low-concentration samples.
Journal ArticleDOI
Towards an understanding of the nucleation of alpha-para amino benzoic acid from ethanolic solutions: a multi-scale approach
D. Toroz,Ian Rosbottom,Thomas D. Turner,Diana M. Camacho Corzo,Robert B. Hammond,Xiaojun Lai,Kevin J. Roberts +6 more
TL;DR: Combined ab initio and molecular dynamics calculations of the stability of small clusters in solution suggests that the hydrogen-bonded carboxylic acid dimers are the most stable in solution and play a major role in the self-assembly and polymorphic expression of the alpha form in ethanol in preference to the beta form.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.