Refinement of macromolecular structures by the maximum-likelihood method

GN Murshudov, AA Vagin… - … Section D: Biological …, 1997 - journals.iucr.org
This paper reviews the mathematical basis of maximum likelihood. The likelihood function
for macromolecular structures is extended to include prior phase information and …

Validation of protein crystal structures

GJ Kleywegt - Acta Crystallographica Section D: Biological …, 2000 - journals.iucr.org
Since the process of building and refining a model of a biomacromolecule based on
crystallographic data is subjective, quality-control techniques are required to assess the …

[PDF][PDF] Real-space refinement in PHENIX for cryo-EM and crystallography

PV Afonine, BK Poon, RJ Read… - … Section D: Structural …, 2018 - journals.iucr.org
This article describes the implementation of real-space refinement in the phenix.
real_space_refine program from the PHENIX suite. The use of a simplified refinement target …

[PDF][PDF] New tools for the analysis and validation of cryo-EM maps and atomic models

PV Afonine, BP Klaholz, NW Moriarty… - … Section D: Structural …, 2018 - journals.iucr.org
Recent advances in the field of electron cryomicroscopy (cryo-EM) have resulted in a rapidly
increasing number of atomic models of biomacromolecules that have been solved using this …

[PDF][PDF] Towards automated crystallographic structure refinement with phenix. refine

PV Afonine, RW Grosse-Kunstleve… - … Section D: Biological …, 2012 - journals.iucr.org
phenix. refine is a program within the PHENIX package that supports crystallographic
structure refinement against experimental data with a wide range of upper resolution limits …

GROMACS: fast, flexible, and free

D Van Der Spoel, E Lindahl, B Hess… - Journal of …, 2005 - Wiley Online Library
This article describes the software suite GROMACS (Groningen MAchine for Chemical
Simulation) that was developed at the University of Groningen, The Netherlands, in the early …

Outcome of the first electron microscopy validation task force meeting

R Henderson, A Sali, ML Baker, B Carragher… - Structure, 2012 - cell.com
This Meeting Review describes the proceedings and conclusions from the inaugural
meeting of the Electron Microscopy Validation Task Force organized by the Unified Data …

[BOK][B] Three-dimensional electron microscopy of macromolecular assemblies: visualization of biological molecules in their native state

J Frank - 2006 - books.google.com
Cryoelectron microscopy of biological molecules is among the hottest growth areas in
biophysics and structural biology at present, and Frank is arguably the most distinguished …

Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics

LG Trabuco, E Villa, K Mitra, J Frank, K Schulten - Structure, 2008 - cell.com
A novel method to flexibly fit atomic structures into electron microscopy (EM) maps using
molecular dynamics simulations is presented. The simulations incorporate the EM data as …

Time-resolved cryo-EM visualizes ribosomal translocation with EF-G and GTP

CE Carbone, AB Loveland, HB Gamper Jr… - Nature …, 2021 - nature.com
During translation, a conserved GTPase elongation factor—EF-G in bacteria or eEF2 in
eukaryotes—translocates tRNA and mRNA through the ribosome. EF-G has been proposed …