BSAlign: a rapid graph-based algorithm for detecting ligand-binding sites in protein structures.

No abstract is available for this paper.

• Publication year

  2008

• Venue

  Genome informatics. International Conference on Genome Informatics

• Publication date

  Unknown publication date

• Fields of study

  Biology, Medicine, Computer Science

• Identifiers
  DOI 10.11234/GI1990.21.65PMID 19425148
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• A simple and fuzzy method to align and compare druggable ligand‐binding sites

  2008cited by this paper
• Protein structure analysis using contact maps and secondary structure

  2007cited by this paper
• Computed protonation properties: unique capabilities for protein functional site prediction.

  2007cited by this paper
• COMPUTED PROTONATION PROPERTIES: UNIQUE CAPABILITIES FOR PROTEIN FUNCTIONAL SITE PREDICTION

  2007cited by this paper
• Matalign: Precise Protein Structure Comparison by Matrix Alignment

  2006cited by this paper
• Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites

  2005cited by this paper
• Virtual Screening in Drug Discovery

  2005cited by this paper
• BIOINFORMATICS ORIGINAL PAPER Structural bioinformatics

  2004cited by this paper
• Recognition of Functional Sites in Protein Structures☆

  2004cited by this paper
• Sensitivity and selectivity in protein structure comparison

  2004cited by this paper
• Identification of protein biochemical functions by similarity search using the molecular surface database eF‐site

  2003cited by this paper
• Cliquer user's guide, version 1.0

  2003influential reference
• A new method to detect related function among proteins independent of sequence and fold homology.

  2002influential reference
• A fast algorithm for the maximum clique problem

  2002cited by this paper
• High-throughput docking for lead generation.

  2001cited by this paper
• Protein structure alignment by incremental combinatorial extension (CE) of the optimal path.

  1998cited by this paper
• Analysis of topological and nontopological structural similarities in the PDB: New examples with old structures

  1996cited by this paper
• An Algorithm for Finding Maximal Common Subtopologies in a Set of Protein Structures

  1996cited by this paper
• A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures.

  1994cited by this paper
• Three‐dimensional, sequence order‐independent structural comparison of a serine protease against the crystallographic database reveals active site similarities: Potential implications to evolution and to protein folding

  1994cited by this paper
• Protein structure comparison by alignment of distance matrices.

  1993cited by this paper
• The Hungarian method for the assignment problem

  1955cited by this paper
• Hypothesis __________________________________________________________________________________ Evolutionary Trace Analysis at the Ligand Binding Site of Laccase

  year unknowncited by this paper

• $\Delta$-Motif: Parallel Subgraph Isomorphism via Tabular Operations

  2025cites this paper
• A fast protein binding site comparison algorithm for proteome‐wide protein function prediction and drug repurposing

  2021cites this paper
• An up-to-date overview of computational polypharmacology in modern drug discovery

  2020cites this paper
• Binding site comparisons for target-centered drug discovery

  2019cites this paper
• Binding site matching in rational drug design: algorithms and applications

  2018cites this paper
• Computational polypharmacology: a new paradigm for drug discovery

  2017cites this paper
• Kinase-Centric Computational Drug Development

  2017cites this paper
• Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

  2014influential citation
• Review Special Focu S: computational chemi S t R y

  2014cites this paper
• Exploiting structural information for drug-target assessment.

  2014cites this paper
• Fast Protein Binding Site Comparison via an Index-Based Screening Technology

  2013cites this paper
• COMPASITES - Computer-aided active site analysis of protein structures

  2013cites this paper
• Identification of Similar Binding Sites to Detect Distant Polypharmacology

  2013cites this paper
• Computational B cell vaccine design

  2013cites this paper
• Structure-based computational analysis of protein binding sites for function and druggability prediction.

  2012cites this paper
• Integrating computational protein function prediction into drug discovery initiatives

  2011cites this paper
• Similar interactions of natural products with biosynthetic enzymes and therapeutic targets could explain why nature produces such a large proportion of existing drugs.

  2011cites this paper
• Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein-Ligand Binding Sites

  2010influential citation
• Développement et utilisation de nouveaux descripteurs moléculaires à des fins de criblage virtuel en chémogénomique

  2009cites this paper