Found: 24
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Mathematical modeling and problem solving: from fundamentals to applications.
- Published in:
- Journal of Supercomputing, 2024, v. 80, n. 10, p. 14116, doi. 10.1007/s11227-024-06007-x
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- Article
Fastlomap: faster lead optimization mapper algorithm for large-scale relative free energy perturbation.
- Published in:
- Journal of Supercomputing, 2024, v. 80, n. 10, p. 14417, doi. 10.1007/s11227-024-06006-y
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- Article
Antibody complementarity-determining region design using AlphaFold2 and DDG predictor.
- Published in:
- Journal of Supercomputing, 2024, v. 80, n. 9, p. 11989, doi. 10.1007/s11227-023-05887-9
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- Article
Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX.
- Published in:
- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01155-w
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- Publication type:
- Article
MEGADOCK-on-Colab: an easy-to-use protein–protein docking tool on Google Colaboratory.
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- BMC Research Notes, 2023, v. 16, n. 1, p. 1, doi. 10.1186/s13104-023-06505-w
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- Article
Design of Cyclic Peptides Targeting Protein–Protein Interactions Using AlphaFold.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 17, p. 13257, doi. 10.3390/ijms241713257
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- Article
Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties.
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- Molecules, 2023, v. 28, n. 15, p. 5652, doi. 10.3390/molecules28155652
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- Article
Solubility-Aware Protein Binding Peptide Design Using AlphaFold.
- Published in:
- Biomedicines, 2022, v. 10, n. 7, p. N.PAG, doi. 10.3390/biomedicines10071626
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- Publication type:
- Article
Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning.
- Published in:
- Bioinformatics, 2022, v. 38, n. 4, p. 1110, doi. 10.1093/bioinformatics/btab726
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- Publication type:
- Article
Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 20, p. 10925, doi. 10.3390/ijms222010925
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- Publication type:
- Article
Improved Large-Scale Homology Search by Two-Step Seed Search Using Multiple Reduced Amino Acid Alphabets.
- Published in:
- Genes, 2021, v. 12, n. 9, p. 1455, doi. 10.3390/genes12091455
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- Publication type:
- Article
Taxonomic and Gene Category Analyses of Subgingival Plaques from a Group of Japanese Individuals with and without Periodontitis.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 10, p. 5298, doi. 10.3390/ijms22105298
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- Publication type:
- Article
Multidomain protein structure prediction using information about residues interacting on multimeric protein interfaces.
- Published in:
- Biophysics & Physicobiology, 2020, v. 17, n. 1, p. 2, doi. 10.2142/biophysico.BSJ-2019050
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- Publication type:
- Article
A prospective compound screening contest identified broader inhibitors for Sirtuin 1.
- Published in:
- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-55069-y
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- Publication type:
- Article
QEX: target-specific druglikeness filter enhances ligand-based virtual screening.
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- Molecular Diversity, 2019, v. 23, n. 1, p. 11, doi. 10.1007/s11030-018-9842-3
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- Publication type:
- Article
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques.
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- BMC Bioinformatics, 2018, v. 19, n. 19, p. 157, doi. 10.1186/s12859-018-2529-z
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- Publication type:
- Article
The DEAD-box RNA-binding protein DDX6 regulates parental RNA decay for cellular reprogramming to pluripotency.
- Published in:
- PLoS ONE, 2018, v. 13, n. 10, p. 1, doi. 10.1371/journal.pone.0203708
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- Publication type:
- Article
MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.
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- 2018
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- Publication type:
- Abstract
Spresso: an ultrafast compound pre-screening method based on compound decomposition.
- Published in:
- Bioinformatics, 2017, v. 33, n. 23, p. 3836, doi. 10.1093/bioinformatics/btx178
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- Publication type:
- Article
Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures.
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- BMC Systems Biology, 2015, v. 9, p. 1, doi. 10.1186/1752-0509-9-S1-S6
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- Publication type:
- Article
MEGADOCK 4.0: an ultra–high-performance protein–protein docking software for heterogeneous supercomputers.
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- Bioinformatics, 2014, v. 30, n. 22, p. 3281
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- Publication type:
- Article
Highly precise protein-protein interaction prediction based on consensus between template-based and de novo docking methods.
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- 2013
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- Publication type:
- Conference Paper
MEGADOCK 3.0: a high-performance protein-protein interaction prediction software using hybrid parallel computing for petascale supercomputing environments.
- Published in:
- Source Code for Biology & Medicine, 2013, v. 8, n. 1, p. 1, doi. 10.1186/1751-0473-8-18
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- Publication type:
- Article
Re-Docking Scheme for Generating Near-Native Protein Complexes by Assembling Residue Interaction Fingerprints.
- Published in:
- PLoS ONE, 2013, v. 8, n. 7, p. 1, doi. 10.1371/journal.pone.0069365
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- Publication type:
- Article