BoBER: web interface to the base of bioisosterically exchangeable replacements
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Dušanka Janežič | Janez Konc | Samo Lešnik | Blaž Škrlj | Nika Eržen | Urban Bren | Stanislav Gobec | Janez Konc | D. Janežič | Blaž Škrlj | S. Gobec | U. Bren | Samo Lešnik | Nika Erzen
[1] István Ujváry,et al. Bioster: A Database of Bioisosteres and Bioanalogues , 2012 .
[2] Raed Khashan. FragVLib a free database mining software for generating "Fragment-based Virtual Library" using pocket similarity search of ligand-receptor complexes , 2012, Journal of Cheminformatics.
[3] Dusanka Janezic,et al. ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment , 2010, Bioinform..
[4] Peter Ertl,et al. JSME: a free molecule editor in JavaScript , 2013, Journal of Cheminformatics.
[5] Dusanka Janezic,et al. ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites , 2014, Nucleic Acids Res..
[6] Steven E. Brenner,et al. The value of protein structure classification information—Surveying the scientific literature , 2015, Proteins.
[7] Dusanka Janezic,et al. ProBiS-2012: web server and web services for detection of structurally similar binding sites in proteins , 2012, Nucleic Acids Res..
[8] Dusanka Janezic,et al. LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors , 2015, J. Chem. Inf. Model..
[9] P. Hajduk,et al. Structure of MurF from Streptococcus pneumoniae co‐crystallized with a small molecule inhibitor exhibits interdomain closure , 2005, Protein science : a publication of the Protein Society.
[10] T. N. Bhat,et al. The Protein Data Bank , 2000, Nucleic Acids Res..
[11] Dusanka Janezic,et al. ProBiS: a web server for detection of structurally similar protein binding sites , 2010, Nucleic Acids Res..
[12] K. Comess,et al. An Ultraefficient Affinity-Based High-Throughout Screening Process: Application to Bacterial Cell Wall Biosynthesis Enzyme MurF , 2006, Journal of biomolecular screening.
[13] Dušanka Janežič,et al. Scaffold hopping and bioisosteric replacements based on binding site alignments , 2016 .
[14] John P. Overington,et al. ChEMBL: a large-scale bioactivity database for drug discovery , 2011, Nucleic Acids Res..
[15] Nathan Brown. Bioisosteres and Scaffold Hopping in Medicinal Chemistry , 2014, Molecular informatics.
[16] Dusanka Janezic,et al. ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of PDB Structures , 2012, J. Chem. Inf. Model..
[17] Peter Willett,et al. Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data , 2006, J. Comput. Aided Mol. Des..
[18] Nathan Brown,et al. Bioisosteres in Medicinal Chemistry: BROWN:BIOISOSTERES MED CH O-BK , 2012 .
[19] S. Turk,et al. Biochemical characterization of MurF from Streptococcus pneumoniae and the identification of a new MurF inhibitor through ligand-based virtual screening. , 2013, Acta chimica Slovenica.
[20] Andrew G. Leach,et al. Matched molecular pair analysis in drug discovery. , 2013, Drug discovery today.
[21] Sophie Papst,et al. Bioisosteres In Medicinal Chemistry , 2016 .
[22] Olivier Michielin,et al. SwissBioisostere: a database of molecular replacements for ligand design , 2012, Nucleic Acids Res..
[23] M. Anderluh,et al. Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold. , 2014, European journal of medicinal chemistry.
[24] S. Turk,et al. Structure-activity relationships of new cyanothiophene inhibitors of the essential peptidoglycan biosynthesis enzyme MurF. , 2013, European journal of medicinal chemistry.
[25] Tina Ritschel,et al. Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere Replacement , 2012, J. Chem. Inf. Model..
[26] S. Sethy,et al. THE ROLE OF BIOISOSTERISM IN MOLECULAR MODIFICATION AND DRUG DESIGN: A REVIEW , 2013 .
[27] Didier Rognan,et al. sc-PDB-Frag: A Database of Protein-Ligand Interaction Patterns for Bioisosteric Replacements , 2014, J. Chem. Inf. Model..
[28] Peter Ertl,et al. Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization , 2010, Molecular informatics.