Found: 26
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From UK-2A to florylpicoxamid: Active learning to identify a mimic of a macrocyclic natural product.
- Published in:
- Journal of Computer-Aided Molecular Design, 2024, v. 38, n. 1, p. 1, doi. 10.1007/s10822-024-00555-3
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- Publication type:
- Article
Correction: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice
Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design.
- Published in:
- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 11, p. 519, doi. 10.1007/s10822-023-00524-2
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- Publication type:
- Article
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 865, doi. 10.1007/s10822-019-00236-6
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- Publication type:
- Article
Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 6, p. 531, doi. 10.1007/s10822-019-00203-1
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- Publication type:
- Article
Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 731, doi. 10.1007/s10822-018-0126-x
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- Publication type:
- Article
Surflex-QMOD: physically meaningful QSAR.
- Published in:
- 2014
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- Publication type:
- Abstract
Protein function annotation by local binding site surface similarity.
- Published in:
- Proteins, 2014, v. 82, n. 4, p. 679, doi. 10.1002/prot.24450
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- Publication type:
- Article
A structure-guided approach for protein pocket modeling and affinity prediction.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 11, p. 917, doi. 10.1007/s10822-013-9688-9
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- Publication type:
- Article
Surface-based protein binding pocket similarity.
- Published in:
- Proteins, 2011, v. 79, n. 9, p. 2746, doi. 10.1002/prot.23103
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- Publication type:
- Article
Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 6, p. 355, doi. 10.1007/s10822-009-9266-3
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- Publication type:
- Article
Customizing scoring functions for docking.
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 5, p. 269, doi. 10.1007/s10822-008-9174-y
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- Publication type:
- Article
Recommendations for evaluation of computational methods.
- Published in:
- 2008
- By:
- Publication type:
- Editorial
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery.
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 147, doi. 10.1007/s10822-007-9150-y
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- Publication type:
- Article
Bias, reporting, and sharing: computational evaluations of docking methods.
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 201, doi. 10.1007/s10822-007-9151-x
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- Publication type:
- Article
Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search.
- Published in:
- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 5, p. 281, doi. 10.1007/s10822-007-9114-2
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- Publication type:
- Article
A deterministic motif finding algorithm with application to the human genome.
- Published in:
- Bioinformatics, 2006, v. 22, n. 9, p. 1047, doi. 10.1093/bioinformatics/btl037
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- Publication type:
- Article
Pathway recognition and augmentation by computational analysis of microarray expression data.
- Published in:
- Bioinformatics, 2006, v. 22, n. 2, p. 233
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- Publication type:
- Article
Breast tumor copy number aberration phenotypes and genomic instability.
- Published in:
- BMC Cancer, 2006, v. 6, p. 96, doi. 10.1186/1471-2407-6-96
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- Publication type:
- Article
Whole genome scanning identifies genotypes associated with recurrence and metastasis in prostate tumors.
- Published in:
- Human Molecular Genetics, 2004, v. 13, n. 13, p. 1303, doi. 10.1093/hmg/ddh155
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- Publication type:
- Article
Determinants of BRAF mutations in primary melanomas.
- Published in:
- 2003
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- Publication type:
- journal article
Shaping of tumor and drug-resistant genomes by instability and selection.
- Published in:
- Oncogene, 2003, v. 22, n. 28, p. 4370, doi. 10.1038/sj.onc.1206482
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- Publication type:
- Article
Genome-wide-array-based comparative genomic hybridization reveals genetic homogeneity and frequent copy number increases encompassing CCNE1 in Fallopian tube carcinoma.
- Published in:
- Oncogene, 2003, v. 22, n. 27, p. 4281, doi. 10.1038/sj.onc.1206621
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- Publication type:
- Article
Deriving quantitative conclusions from microarray expression data.
- Published in:
- Bioinformatics, 2002, v. 18, n. 7, p. 961, doi. 10.1093/bioinformatics/18.7.961
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- Publication type:
- Article
Assembly of microarrays for genome-wide measurement of DNA copy number.
- Published in:
- Nature Genetics, 2001, v. 29, n. 3, p. 263, doi. 10.1038/ng754
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- Publication type:
- Article
Automatic identification and representation of protein binding sites for molecular docking.
- Published in:
- Protein Science: A Publication of the Protein Society, 1997, v. 6, n. 3, p. 524, doi. 10.1002/pro.5560060302
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- Publication type:
- Article