RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning.
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Nucleic Acids Res., January, 2023
RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences.
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Nucleic Acids Res., 2021
Computational Discovery and Experimental Validation of Inhibitors of the Human Intestinal Transporter OATP2B1.
J. Chem. Inf. Model., June, 2017
FoXS, FoXSDock and MultiFoXS: Single-state and multi-state structural modeling of proteins and their complexes based on SAXS profiles.
Nucleic Acids Res., 2016
Clustering of disulfide-rich peptides provides scaffolds for hit discovery by phage display: application to interleukin-23.
BMC Bioinform., 2016
Prediction of Functionally Important Phospho-Regulatory Events in <i>Xenopus laevis</i> Oocytes.
PLoS Comput. Biol., 2015
A Systematic Computational Analysis of Biosynthetic Gene Cluster Evolution: Lessons for Engineering Biosynthesis.
PLoS Comput. Biol., 2014
ModBase, a database of annotated comparative protein structure models and associated resources.
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Nucleic Acids Res., 2014
Prediction of Substrates for Glutathione Transferases by Covalent Docking.
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J. Chem. Inf. Model., 2014
Target Prediction for an Open Access Set of Compounds Active against <i>Mycobacterium tuberculosis</i>.
PLoS Comput. Biol., 2013
Optimized atomic statistical potentials: assessment of protein interfaces and loops.
Bioinform., 2013
A method for integrative structure determination of protein-protein complexes.
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Bioinform., 2012
SALIGN: a web server for alignment of multiple protein sequences and structures.
Bioinform., 2012
MultiFit: a web server for fitting multiple protein structures into their electron microscopy density map.
Nucleic Acids Res., 2011
ModBase, a database of annotated comparative protein structure models, and associated resources.
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Nucleic Acids Res., 2011
Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions.
J. Chem. Inf. Model., 2011
The Overlap of Small Molecule and Protein Binding Sites within Families of Protein Structures.
PLoS Comput. Biol., 2010
FoXS: a web server for rapid computation and fitting of SAXS profiles.
Nucleic Acids Res., 2010
Prediction of protease substrates using sequence and structure features.
Bioinform., 2010
Global Motions of the Nuclear Pore Complex: Insights from Elastic Network Models.
PLoS Comput. Biol., 2009
MODBASE, a database of annotated comparative protein structure models and associated resources.
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Nucleic Acids Res., 2009
Molecular Docking Screens Using Comparative Models of Proteins.
J. Chem. Inf. Model., 2009
ModLink+: improving fold recognition by using protein-protein interactions.
Bioinform., 2009
Evolutionarily Conserved Substrate Substructures for Automated Annotation of Enzyme Superfamilies.
PLoS Comput. Biol., 2008
Prediction of enzyme function by combining sequence similarity and protein interactions.
BMC Bioinform., 2008
Integrative Structure Determination of Protein Assemblies by Satisfaction of Spatial Restraints.
Proceedings of the Protein-protein Interactions and Networks: Identification, 2008
Functional Impact of Missense Variants in BRCA1 Predicted by Supervised Learning.
PLoS Comput. Biol., 2007
Stereochemical Criteria for Prediction of the Effects of Proline Mutations on Protein Stability.
PLoS Comput. Biol., 2007
Characterization of Protein Hubs by Inferring Interacting Motifs from Protein Interactions.
PLoS Comput. Biol., 2007
DBAli tools: mining the protein structure space.
Nucleic Acids Res., 2007
The AnnoLite and AnnoLyze programs for comparative annotation of protein structures.
BMC Bioinform., 2007
Protein Interactions and Disease Phenotypes in the ABC Transporter Superfamily.
Proceedings of the Biocomputing 2007, 2007
Structural Modeling of Protein Interactions by Analogy: Application to PSD-95.
PLoS Comput. Biol., 2006
MODBASE: a database of annotated comparative protein structure models and associated resources.
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Nucleic Acids Res., 2006
LS-SNP: large-scale annotation of coding non-synonymous SNPs based on multiple information sources.
Bioinform., 2005
PIBASE: a comprehensive database of structurally defined protein interfaces.
Bioinform., 2005
Improving Functional Annotation of Non-Synonomous SNPs with Information Theory.
Proceedings of the Biocomputing 2005, 2005
MODBASE, a database of annotated comparative protein structure models, and associated resources.
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Nucleic Acids Res., 2004
EVA: evaluation of protein structure prediction servers.
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Nucleic Acids Res., 2003
Tools for comparative protein structure modeling and analysis.
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Nucleic Acids Res., 2003
ModView, visualization of multiple protein sequences and structures.
Bioinform., 2003
ModLoop: automated modeling of loops in protein structures.
Bioinform., 2003
MODBASE, a database of annotated comparative protein structure models.
Nucleic Acids Res., 2002
LigBase: a database of families of aligned ligand binding sites in known protein sequences and structures.
Bioinform., 2002
DBAli: a database of protein structure alignments.
Bioinform., 2001
EVA: continuous automatic evaluation of protein structure prediction servers.
Bioinform., 2001
The Third Georgia Tech-Emory International Conference on Bioinformatics: In Silico Biology; Bioinformatics After Human Genome (November 15-18, 2001, Atlanta, Georgia, USA).
Bioinform., 2001
MODBASE, a database of annotated comparative protein structure models.
Nucleic Acids Res., 2000
The Second Georgia Tech International Conference on Bioinformatics: Sequence, Structure and Function (November 11-14, 1999, Atlanta, Georgia, USA).
Bioinform., 1999
Thermodynamics and kinetics of protein folding.
Proceedings of the Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, 1995