EXPO2013: a kit of tools for phasing crystal structures from powder data

A Altomare, C Cuocci, C Giacovazzo… - Journal of Applied …, 2013 - journals.iucr.org
EXPO2013, the heir of EXPO2009, has been enriched by a variety of new algorithms and
graphical tools aiming at strengthening the individual steps of the powder structure solution …

[PDF][PDF] REFMAC5 for the refinement of macromolecular crystal structures

GN Murshudov, P Skubák, AA Lebedev… - … Section D: Biological …, 2011 - journals.iucr.org
This paper describes various components of the macromolecular crystallographic
refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 …

SIR2011: a new package for crystal structure determination and refinement

MC Burla, R Caliandro, M Camalli… - Journal of Applied …, 2012 - journals.iucr.org
SIR2011, the successor of SIR2004, is the latest program of the SIR suite. It can solve ab
initio crystal structures of small-and medium-size molecules, as well as protein structures …

EXPO2009: structure solution by powder data in direct and reciprocal space

A Altomare, M Camalli, C Cuocci… - Journal of Applied …, 2009 - journals.iucr.org
The program EXPO2009 is the evolution of EXPO2004 [Altomare, Caliandro, Camalli,
Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst. 37, 1025–1028]. EXPO2009 …

[PDF][PDF] FEM: feature-enhanced map

PV Afonine, NW Moriarty, M Mustyakimov… - … Section D: Biological …, 2015 - journals.iucr.org
A method is presented that modifies a 2mFobs− DFmodel σA-weighted map such that the
resulting map can strengthen a weak signal, if present, and can reduce model bias and …

EXPO software for solving crystal structures by powder diffraction data: methods and application

A Altomare, N Corriero, C Cuocci… - Crystal Research …, 2015 - Wiley Online Library
Innovative methodologies, introduced in the software EXPO and working both in the
reciprocal and in the direct space, can be successfully adopted for solving crystal structure …

Phasing in crystallography: a modern perspective

C Giacovazzo - Rendiconti Lincei, 2013 - Springer
Phasing by crystallographic methods dramatically contributed to the development of the
modern Sciences. As effect of their application, hundreds of thousands structures have been …

Low resolution refinement of atomic models against crystallographic data

RA Nicholls, O Kovalevskiy, GN Murshudov - … : Methods and Protocols, 2017 - Springer
This review describes some of the problems encountered during low-resolution refinement
and map calculation. Refinement is considered as an application of Bayes' theorem …

Xanthenylacetic acid derivatives effectively target lysophosphatidic acid receptor 6 to inhibit hepatocellular carcinoma cell growth

D Gnocchi, MM Cavalluzzi, GF Mangiatordi… - …, 2021 - Wiley Online Library
Despite the increasing incidence of hepatocellular carcinoma (HCC) worldwide, current
pharmacological treatments are still unsatisfactory. We have previously shown that …

On effective and optical resolutions of diffraction data sets

L Urzhumtseva, B Klaholz… - … Section D: Biological …, 2013 - journals.iucr.org
In macromolecular X-ray crystallography, diffraction data sets are traditionally characterized
by the highest resolution dhigh of the reflections that they contain. This measure is sensitive …