[HTML][HTML] Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
… R work and R free values after refinement; R-factor plots show how the values change during
the refinement run. The distribution of R … While R factors are calculated in reciprocal space, …
the refinement run. The distribution of R … While R factors are calculated in reciprocal space, …
The Phenix software for automated determination of macromolecular structures
… Since the inception of R free for model-to-data fit [66] and of What-If and ProCheck for model
… , and chemical reasonableness, and also lowering R and R free by small amounts. Such …
… , and chemical reasonableness, and also lowering R and R free by small amounts. Such …
The graph isomorphism disease
RC Read, DG Corneil - Journal of graph theory, 1977 - Wiley Online Library
… The following theorem, attributed to R. Karp, establishes the algorithmic equivalence of the
graph … This conjecture has since been shown to be false, and R. Mathon [26] has produced …
graph … This conjecture has since been shown to be false, and R. Mathon [26] has produced …
Accurate prediction of protein structures and interactions using a three-track neural network
DeepMind presented notably accurate predictions at the recent 14th Critical Assessment of
Structure Prediction (CASP14) conference. We explored network architectures that …
Structure Prediction (CASP14) conference. We explored network architectures that …
[HTML][HTML] Overview of the CCP4 suite and current developments
The CCP4 (Collaborative Computational Project, Number 4) software suite is a collection of
programs and associated data and software libraries which can be used for macromolecular …
programs and associated data and software libraries which can be used for macromolecular …
[HTML][HTML] PHENIX: a comprehensive Python-based system for macromolecular structure solution
…, NW Moriarty, R Oeffner, RJ Read… - … Section D: Biological …, 2010 - scripts.iucr.org
… D65, 297-300.] ) is a graphical tool that is designed to indicate the similarity of validation
parameters, such as free R value, for a particular structure compared with those deposited in the …
parameters, such as free R value, for a particular structure compared with those deposited in the …
Crystallography & NMR system: A new software suite for macromolecular structure determination
… The first section of the protocol consists of reading the various data structures. This is
followed by an initialization section for statistical analysis of average properties. A constant high- …
followed by an initialization section for statistical analysis of average properties. A constant high- …
[HTML][HTML] Phaser crystallographic software
… when |r a,b | ≤ R and where r a,b = r a − r b , r a and r b are the coordinates of the atoms
a and b, R is the cut-off radius for considering the interaction (= 5 Ć by default), and C is the …
a and b, R is the cut-off radius for considering the interaction (= 5 Ć by default), and C is the …
[HTML][HTML] PHENIX: building new software for automated crystallographic structure determination
Structural genomics seeks to expand rapidly the number of protein structures in order to
extract the maximum amount of information from genomic sequence databases. The advent of …
extract the maximum amount of information from genomic sequence databases. The advent of …
[HTML][HTML] Safety and immunogenicity of seven COVID-19 vaccines as a third dose (booster) following two doses of ChAdOx1 nCov-19 or BNT162b2 in the UK (COV …
…, A Sturdy, EC Thomson, S Todd, C Twelves, RC Read… - The Lancet, 2021 - thelancet.com
Background Few data exist on the comparative safety and immunogenicity of different
COVID-19 vaccines given as a third (booster) dose. To generate data to optimise selection of …
COVID-19 vaccines given as a third (booster) dose. To generate data to optimise selection of …