Solvent content of protein crystals from diffraction intensities by Independent Component Analysis [PDF]
, 2003 An analysis of the protein content of several crystal forms of proteins has been performed. We apply a new numerical technique, the Independent Component Analysis (ICA), to determine the volume fraction of the asymmetric unit occupied by the protein ...
A. Lamura +34 more
core +1 more source
A structural systematic study of three isomers of difluoro-N-(4-pyridyl)benzamide [PDF]
, 2008 The isomers 2,3-, (I), 2,4-, (II), and 2,5-difluoro-N-(4-pyridyl)benzamide, (III), all with formula C₁₂H₈F₂N₂O, all exhibit intramolecular C-H...O=C and N-H...F contacts [both with S(6) motifs].
Anderson, Frankie P. +3 more
core +1 more source
Efficient routes to epimerically-pure side-chain derivatives of lanosterol [PDF]
, 2004 A technically simple route is described to individual epimers of side-chain derivatives of lanosterol (3-hydroxy-5-lanosta-8,24-diene). Epimerically pure 24,25-epoxy-, 24,25-dihydroxy- and 24-bromo-25-hydroxy-lanosterol have been prepared in good yield ...
Kavtaradze, Levan K. +2 more
core +2 more sources
A Canonical Form for Positive Definite Matrices [PDF]
, 2020 We exhibit an explicit, deterministic algorithm for finding a canonical form for a positive definite matrix under unimodular integral transformations. We use characteristic sets of short vectors and partition-backtracking graph software.
Haensch, Anna +3 more
core +2 more sources
Classification of eight dimensional perfect forms [PDF]
, 2006 In this paper, we classify the perfect lattices in dimension 8. There are 10916 of them. Our classification heavily relies on exploiting symmetry in polyhedral computations.
Schuermann, Achill +2 more
core +7 more sources
Improving signal strength in serial crystallography with DIALS geometry refinement
Acta Crystallographica Section D: Structural Biology, 2018 For XFEL data, simultaneous refinement of multi-panel detector geometry with thousands of crystal models in the program DIALS improves the integrated signal quality and helps to reduce non ...
A. Brewster +9 more
semanticscholar +1 more source
Use of massively multiple merged data for low‐resolution S‐SAD phasing and refinement of flavivirus NS1 [PDF]
, 2014 Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/109310/1/S1399004714017556 ...
Akey, David L. +4 more
core +1 more source
Partially ordered sets in crystallography
, 2020 Partially ordered sets are an excellent device to explore the relations among both point groups and space groups. Figure 1 is a Hasse diagram or tree of the three-dimensional point groups [1]. (Unfortunately, the word order has two different meanings. In
M. Julian
semanticscholar +1 more source
An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. [PDF]
, 2015 SACLAのX線自由電子レーザーを用いた新規タンパク質立体構造決定に世界で初めて成功. 京都大学プレスリリース. 2015-09-14.Serial femtosecond crystallography (SFX) with X-ray free electron lasers (XFELs) holds great potential for structure determination of challenging proteins that are not amenable to ...
Ago, Hideo +23 more
core +1 more source
High-resolution double vision of the archetypal protein tyrosine phosphatase
bioRxiv, 2023 Protein tyrosine phosphatase 1B (PTP1B) plays important roles in cellular homeostasis and is a highly validated therapeutic target for multiple human ailments including diabetes, obesity, and breast cancer.
Shivani Sharma +4 more
semanticscholar +1 more source