Found: 21
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Accurate prediction of protein–ligand interactions by combining physical energy functions and graph-neural networks.
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- Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00912-2
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- Article
S-Pred: protein structural property prediction using MSA transformer.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-18205-9
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- Article
Discovery of a Potent Candidate for RET-Specific Non-Small-Cell Lung Cancer—A Combined In Silico and In Vitro Strategy.
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- Pharmaceutics, 2021, v. 13, n. 11, p. 1775, doi. 10.3390/pharmaceutics13111775
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- Article
AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 22, p. 8424, doi. 10.3390/ijms21228424
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- Article
GalaxySite: ligand-binding-site prediction by using molecular docking.
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- Nucleic Acids Research, 2014, v. 42, n. W1, p. W210, doi. 10.1093/nar/gku321
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- Article
Prediction of Local Quality of Protein Structure Models Considering Spatial Neighbors in Graphical Models.
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- Scientific Reports, 2017, p. 40629, doi. 10.1038/srep40629
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- Article
Current Challenges and Opportunities in Designing Protein–Protein Interaction Targeted Drugs.
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- Advances & Applications in Bioinformatics & Chemistry, 2020, v. 13, p. 11, doi. 10.2147/AABC.S235542
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- Article
Improving docking and virtual screening performance using AlphaFold2 multi-state modeling for kinases.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-75400-6
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- Article
A remarkable genetic shift in a transmitted/founder virus broadens antibody responses against HIV-1.
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- eLife, 2024, p. 1, doi. 10.7554/eLife.92379
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- Article
A prospective compound screening contest identified broader inhibitors for Sirtuin 1.
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- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-55069-y
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Pannorin isolated from marine Penicillium sp. SG-W3: a selective monoamine oxidase A inhibitor.
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- Applied Biological Chemistry, 2024, v. 67, n. 1, p. 1, doi. 10.1186/s13765-024-00878-7
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- Article
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1083, doi. 10.1007/s10822-019-00222-y
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- Article
GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking.
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- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 7, p. 653, doi. 10.1007/s10822-017-0030-9
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- Article
Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery.
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- Molecules, 2015, v. 20, n. 7, p. 12841, doi. 10.3390/molecules200712841
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- Article
Exploring safe and potent bioactives for the treatment of non-small cell lung cancer.
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- 3 Biotech, 2021, v. 11, n. 5, p. 1, doi. 10.1007/s13205-021-02797-6
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- Article
Performance and enhancement of the LZerD protein assembly pipeline in CAPRI 38‐46.
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- Proteins, 2020, v. 88, n. 8, p. 948, doi. 10.1002/prot.25850
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- Article
Improved performance in CAPRI round 37 using LZerD docking and template‐based modeling with combined scoring functions.
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- Proteins, 2018, v. 86, n. 1, p. 311, doi. 10.1002/prot.25376
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- Article
Human and server docking prediction for CAPRI round 30-35 using LZerD with combined scoring functions.
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- Proteins, 2017, v. 85, n. 3, p. 513, doi. 10.1002/prot.25165
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- Article
GalaxyDock2: Protein-ligand docking using beta-complex and global optimization.
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- Journal of Computational Chemistry, 2013, v. 34, n. 30, p. 2647, doi. 10.1002/jcc.23438
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- Article
LigDockCSA: Protein-ligand docking using conformational space annealing.
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- Journal of Computational Chemistry, 2011, v. 32, n. 15, p. 3226, doi. 10.1002/jcc.21905
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- Article
Modeling the assembly order of multimeric heteroprotein complexes.
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- PLoS Computational Biology, 2018, v. 14, n. 1, p. 1, doi. 10.1371/journal.pcbi.1005937
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- Article