David W. Ritchie

Orcid: 0000-0002-0906-7354

According to our database1, David W. Ritchie authored at least 37 papers between 1997 and 2021.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2021
PPIDomainMiner: Inferring domain-domain interactions from multiple sources of protein-protein interactions.
PLoS Comput. Biol., 2021

2020
GrAPFI: predicting enzymatic function of proteins from domain similarity graphs.
BMC Bioinform., 2020

2019
EROS-DOCK: protein-protein docking using exhaustive branch-and-bound rotational search.
Bioinform., 2019

Functional Annotation of Proteins using Domain Embedding based Sequence Classification.
Proceedings of the 11th International Joint Conference on Knowledge Discovery, 2019

2018
Computational discovery of direct associations between GO terms and protein domains.
BMC Bioinform., 2018

Exploiting Complex Protein Domain Networks for Protein Function Annotation.
Proceedings of the Complex Networks and Their Applications VII, 2018

2017
Neighborhood-Based Label Propagation in Large Protein Graphs.
CoRR, 2017

ECDomainMiner: discovering hidden associations between enzyme commission numbers and Pfam domains.
BMC Bioinform., 2017

Associating Gene Ontology Terms with Pfam Protein Domains.
Proceedings of the Bioinformatics and Biomedical Engineering, 2017

2016
Kbdock - Searching and Organising the Structural Space of Protein-Protein Interactions.
ERCIM News, 2016

Calculating and scoring high quality multiple flexible protein structure alignments.
Bioinform., 2016

PEPSI-Dock: a detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation.
Bioinform., 2016

2015
GESSE: Predicting Drug Side Effects from Drug-Target Relationships.
J. Chem. Inf. Model., 2015

2014
KBDOCK 2013: a spatial classification of 3D protein domain family interactions.
Nucleic Acids Res., 2014

GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning.
J. Chem. Inf. Model., 2014

2012
Detecting Drug Promiscuity Using Gaussian Ensemble Screening.
J. Chem. Inf. Model., 2012

Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach.
Int. J. Swarm Intell. Res., 2012

Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.
Bioinform., 2012

2011
Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening.
J. Chem. Inf. Model., 2011

Predicting drug polypharmacology using a novel surface property similarity-based approach.
J. Cheminformatics, 2011

Spatial clustering of protein binding sites for template based protein docking.
Bioinform., 2011

Using Kendall-τ Meta-Bagging to Improve Protein-Protein Docking Predictions.
Proceedings of the Pattern Recognition in Bioinformatics, 2011

Algorithmes Haute-Performance pour la Reconnaissance de Formes Moléculaires. (High Performance Algorithms for Molecular Shape Recognition).
, 2011

2010
HexServer: an FFT-based protein docking server powered by graphics processors.
Nucleic Acids Res., 2010

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods.
J. Chem. Inf. Model., 2010

Ultra-fast FFT protein docking on graphics processors.
Bioinform., 2010

3D-Blast: 3D Protein Structure Alignment, Comparison, and Classification Using Spherical Polar Fourier Correlations.
Proceedings of the Biocomputing 2010: Proceedings of the Pacific Symposium, 2010

Using Graphics Processors to Accelerate Protein Docking Calculations.
Proceedings of the Healthgrid Applications and Core Technologies, 2010

SHREC'10 Track: Protein Model Classification.
Proceedings of the 3rd Eurographics Workshop on 3D Object Retrieval, 2010

2009
Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening.
J. Chem. Inf. Model., 2009

2008
Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand-Receptor Docking.
J. Chem. Inf. Model., 2008

Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket.
J. Chem. Inf. Model., 2008

Accelerating and focusing protein-protein docking correlations using multi-dimensional rotational FFT generating functions.
Bioinform., 2008

2007
Toward High Throughput 3D Virtual Screening Using Spherical Harmonic Surface Representations.
J. Chem. Inf. Model., 2007

2006
Modeling the Structural Basis of Human CCR5 Chemokine Receptor Function: From Homology Model Building and Molecular Dynamics Validation to Agonist and Antagonist Docking.
J. Chem. Inf. Model., 2006

1999
Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces.
J. Comput. Chem., 1999

1997
Modeling Antibody Side Chain Conformations Using Heuristic Database Search.
Proceedings of the 5th International Conference on Intelligent Systems for Molecular Biology, 1997


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