- Home
- Publications
- Publication Search
- Publication Details
Title
Knowledge-based Fragment Binding Prediction
Authors
Keywords
-
Journal
PLoS Computational Biology
Volume 10, Issue 4, Pages e1003589
Publisher
Public Library of Science (PLoS)
Online
2014-04-25
DOI
10.1371/journal.pcbi.1003589
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Adenosine-binding motif mimicry and cellular effects of a thieno[2,3-d]pyrimidine-based chemical inhibitor of atypical protein kinase C isoenzymes
- (2013) Svend Kjær et al. BIOCHEMICAL JOURNAL
- Interplay of physics and evolution in the likely origin of protein biochemical function
- (2013) Jeffrey Skolnick et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins
- (2013) Mu Gao et al. PLoS Computational Biology
- Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
- (2012) Lars Ruddigkeit et al. Journal of Chemical Information and Modeling
- ZINC: A Free Tool to Discover Chemistry for Biology
- (2012) John J. Irwin et al. Journal of Chemical Information and Modeling
- Diagnosing the decline in pharmaceutical R&D efficiency
- (2012) Jack W. Scannell et al. NATURE REVIEWS DRUG DISCOVERY
- Substrate Recognition Mechanism of Atypical Protein Kinase Cs Revealed by the Structure of PKCι in Complex with a Substrate Peptide from Par-3
- (2012) Chihao Wang et al. STRUCTURE
- Experiences in fragment-based drug discovery
- (2012) Christopher W. Murray et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- Classification of scaffold-hopping approaches
- (2011) Hongmao Sun et al. DRUG DISCOVERY TODAY
- Residue Preference Mapping of Ligand Fragments in the Protein Data Bank
- (2011) Lirong Wang et al. Journal of Chemical Information and Modeling
- A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes
- (2011) Helene Köster et al. JOURNAL OF MEDICINAL CHEMISTRY
- Docking Performance of Fragments and Druglike Compounds
- (2011) Marcel L. Verdonk et al. JOURNAL OF MEDICINAL CHEMISTRY
- The productivity crisis in pharmaceutical R&D
- (2011) Fabio Pammolli et al. NATURE REVIEWS DRUG DISCOVERY
- Remote Thioredoxin Recognition Using Evolutionary Conservation and Structural Dynamics
- (2011) Grace W. Tang et al. STRUCTURE
- Using Multiple Microenvironments to Find Similar Ligand-Binding Sites: Application to Kinase Inhibitor Binding
- (2011) Tianyun Liu et al. PLoS Computational Biology
- Pre-calculated protein structure alignments at the RCSB PDB website: Fig. 1.
- (2010) Andreas Prlić et al. BIOINFORMATICS
- Structural biology in fragment-based drug design
- (2010) Christopher W Murray et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Chemical Fragments that Hydrogen Bond to Asp, Glu, Arg, and His Side Chains in Protein Binding Sites
- (2010) A.W. Edith Chan et al. JOURNAL OF MEDICINAL CHEMISTRY
- Fpocket: An open source platform for ligand pocket detection
- (2009) Vincent Le Guilloux et al. BMC BIOINFORMATICS
- BLAST+: architecture and applications
- (2009) Christiam Camacho et al. BMC BIOINFORMATICS
- Novel trends in high-throughput screening
- (2009) Lorenz M Mayr et al. CURRENT OPINION IN PHARMACOLOGY
- Advances and pitfalls of protein structural alignment
- (2009) Hitomi Hasegawa et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Reduction of protein kinase C ζ inhibits migration and invasion of human glioblastoma cells
- (2009) Hua Guo et al. JOURNAL OF NEUROCHEMISTRY
- On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteins
- (2009) Abdullah Kahraman et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Improving Structure-Based Function Prediction Using Molecular Dynamics
- (2009) Dariya S. Glazer et al. STRUCTURE
- Small Molecule Subgraph Detector (SMSD) toolkit
- (2009) Syed Rahman et al. Journal of Cheminformatics
- Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
- (2009) Olgun Guvench et al. PLoS Computational Biology
- The FEATURE framework for protein function annotation: modeling new functions, improving performance, and extending to novel applications
- (2008) Inbal Halperin et al. BMC GENOMICS
- The nature and character of the transition state for the ADP-ribosyltransferase reaction
- (2008) René Jørgensen et al. EMBO REPORTS
- The ConSurf-DB: pre-calculated evolutionary conservation profiles of protein structures
- (2008) Ofir Goldenberg et al. NUCLEIC ACIDS RESEARCH
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started