User profiles for David W Ritchie
David RitchieSenior Researcher at INRIA Nancy Verified email at inria.fr Cited by 6178 |
Protein docking using spherical polar Fourier correlations
DW Ritchie, GJL Kemp - Proteins: Structure, Function, and …, 2000 - Wiley Online Library
We present a new computational method of docking pairs of proteins by using spherical
polar Fourier correlations to accelerate the search for candidate low‐energy conformations. …
polar Fourier correlations to accelerate the search for candidate low‐energy conformations. …
HexServer: an FFT-based protein docking server powered by graphics processors
HexServer ( http://hexserver.loria.fr/ ) is the first Fourier transform (FFT)-based protein
docking server to be powered by graphics processors. Using two graphics processors …
docking server to be powered by graphics processors. Using two graphics processors …
Ultra-fast FFT protein docking on graphics processors
DW Ritchie, V Venkatraman - Bioinformatics, 2010 - academic.oup.com
Motivation: Modelling protein–protein interactions (PPIs) is an increasingly important aspect
of structural bioinformatics. However, predicting PPIs using in silico docking techniques is …
of structural bioinformatics. However, predicting PPIs using in silico docking techniques is …
[HTML][HTML] The CAFA challenge reports improved protein function prediction and new functional annotations for hundreds of genes through experimental screens
Background The Critical Assessment of Functional Annotation (CAFA) is an ongoing, global,
community-driven effort to evaluate and improve the computational annotation of protein …
community-driven effort to evaluate and improve the computational annotation of protein …
Recent progress and future directions in protein-protein docking
DW Ritchie - Current protein and peptide science, 2008 - ingentaconnect.com
This article gives an overview of recent progress in protein-protein docking and it identifies
several directions for future research. Recent results from the CAPRI blind docking …
several directions for future research. Recent results from the CAPRI blind docking …
Evaluation of protein docking predictions using Hex 3.1 in CAPRI rounds 1 and 2
DW Ritchie - Proteins: Structure, Function, and Bioinformatics, 2003 - Wiley Online Library
This article describes and reviews our efforts using Hex 3.1 to predict the docking modes of
the seven target protein–protein complexes presented in the CAPRI (Critical Assessment of …
the seven target protein–protein complexes presented in the CAPRI (Critical Assessment of …
Docking essential dynamics eigenstructures
D Mustard, DW Ritchie - Proteins: Structure, function, and …, 2005 - Wiley Online Library
This article describes our attempts to dock the targets in CAPRI Rounds 3–5 using Hex 4.2,
and it introduces a novel essential dynamics approach to generate multiple feasible …
and it introduces a novel essential dynamics approach to generate multiple feasible …
Terminating eukaryote translation: domain 1 of release factor eRF1 functions in stop codon recognition
G Bertram, HA Bell, DW Ritchie, G Fullerton… - Rna, 2000 - cambridge.org
Eukaryote ribosomal translation is terminated when release factor eRF1, in a complex with
eRF3, binds to one of the three stop codons. The tertiary structure and dimensions of eRF1 …
eRF3, binds to one of the three stop codons. The tertiary structure and dimensions of eRF1 …
Accelerating and focusing protein–protein docking correlations using multi-dimensional rotational FFT generating functions
Motivation: Predicting how proteins interact at the molecular level is a computationally
intensive task. Many protein docking algorithms begin by using fast Fourier transform (FFT) …
intensive task. Many protein docking algorithms begin by using fast Fourier transform (FFT) …
Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces
DW Ritchie, GJL Kemp - Journal of Computational Chemistry, 1999 - Wiley Online Library
A procedure that rapidly generates an approximate parametric representation of macromolecular
surface shapes is described. The parametrization is expressed as an expansion of real …
surface shapes is described. The parametrization is expressed as an expansion of real …