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Computational Design of Helical Peptides Targeting TNFα.
- Published in:
- Angewandte Chemie International Edition, 2013, v. 52, n. 42, p. 11059, doi. 10.1002/anie.201305963
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- Article
Designed inhibitor for nuclear localization signal of polo-like kinase 1 induces mitotic arrest.
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- Chemical Biology & Drug Design, 2017, v. 89, n. 5, p. 732, doi. 10.1111/cbdd.12896
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- Article
Discovery of Novel Secretory Phospholipase A<sub>2</sub> Inhibitors Using Virtual Screen.
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- Chemical Biology & Drug Design, 2014, v. 84, n. 2, p. 216, doi. 10.1111/cbdd.12307
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- Article
The Regulatory Roles of Intrinsically Disordered Linker in VRN1-DNA Phase Separation.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 4594, doi. 10.3390/ijms23094594
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- Article
Sequence-based prediction of protein protein interaction using a deep-learning algorithm.
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- BMC Bioinformatics, 2017, v. 18, p. 1, doi. 10.1186/s12859-017-1700-2
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- Article
Small molecules in regulating protein phase separation.
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- Acta Biochimica et Biophysica Sinica, 2023, v. 55, n. 7, p. 1075, doi. 10.3724/abbs.2023106
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- Article
Analysis of protein features and machine learning algorithms for prediction of druggable proteins.
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- Quantitative Biology, 2018, v. 6, n. 4, p. 334, doi. 10.1007/s40484-018-0157-2
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- Article
The Center for Quantitative Biology at Peking University.
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- Quantitative Biology, 2015, v. 3, n. 1, p. 1, doi. 10.1007/s40484-015-0041-2
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- Article
Novel mutations in the PLCZ1 gene associated with human low or failed fertilization.
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- Molecular Genetics & Genomic Medicine, 2020, v. 8, n. 10, p. 1, doi. 10.1002/mgg3.1470
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- Article
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.
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- Nucleic Acids Research, 2018, v. 46, n. W1, p. W374, doi. 10.1093/nar/gky380
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- Article
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.
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- Nucleic Acids Research, 2017, v. 45, n. W1, p. W356, doi. 10.1093/nar/gkx374
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- Article
DNA binding mechanism revealed by high resolution crystal structure of Arabidopsis thaliana WRKY1 protein.
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- Nucleic Acids Research, 2007, v. 35, n. 4, p. 1145, doi. 10.1093/nar/gkm001
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- Article
Computational Design of Helical Peptides Targeting TNFα.
- Published in:
- Angewandte Chemie, 2013, v. 125, n. 42, p. 11265, doi. 10.1002/ange.201305963
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- Publication type:
- Article
Hierarchical graph transformer with contrastive learning for protein function prediction.
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- Bioinformatics, 2023, v. 39, n. 7, p. 1, doi. 10.1093/bioinformatics/btad410
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- Article
Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine.
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- Scientific Reports, 2016, p. 36767, doi. 10.1038/srep36767
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- Article
Structure-based Inhibitor Design for the Intrinsically Disordered Protein c-Myc.
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- Scientific Reports, 2016, p. 22298, doi. 10.1038/srep22298
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- Article
Conformational Flexibility of a Short Loop near the Active Site of the SARS-3CLpro is Essential to Maintain Catalytic Activity.
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- Scientific Reports, 2016, p. 20918, doi. 10.1038/srep20918
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- Article
Visualizing single-molecule conformational transition and binding dynamics of intrinsically disordered proteins.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41018-x
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- Article
Rational drug design targeting intrinsically disordered proteins.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 6, p. 1, doi. 10.1002/wcms.1685
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- Article
Discovery of Novel Allosteric Effectors Based on the Predicted Allosteric Sites for <i>Escherichia coli</i> D-3-Phosphoglycerate Dehydrogenase.
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- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0094829
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- Article
Synergistic and Antagonistic Drug Combinations Depend on Network Topology.
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- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0093960
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- Article
Flux Balance Analysis of Ammonia Assimilation Network in E. coli Predicts Preferred Regulation Point.
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- PLoS ONE, 2011, v. 6, n. 1, p. 1, doi. 10.1371/journal.pone.0016362
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- Article
Structure and Novel Functional Mechanism of Drosophila SNF in Sex-Lethal Splicing.
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- PLoS ONE, 2009, v. 4, n. 9, p. 1, doi. 10.1371/journal.pone.0006890
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- Article
Allosteric sites can be identified based on the residue-residue interaction energy difference.
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- Proteins, 2015, v. 83, n. 8, p. 1375, doi. 10.1002/prot.24681
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- Article
Discovery of binding proteins for a protein target using protein-protein docking-based virtual screening.
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- Proteins, 2014, v. 82, n. 10, p. 2472, doi. 10.1002/prot.24611
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- Article
The minimal α-crystallin domain of Mj Hsp16.5 is functional at non-heat-shock conditions.
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- Proteins, 2014, v. 82, n. 7, p. 1156, doi. 10.1002/prot.24480
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Automatch: Target-binding protein design and enzyme design by automatic pinpointing potential active sites in available protein scaffolds.
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- Proteins, 2012, v. 80, n. 4, p. 1078, doi. 10.1002/prot.24009
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Predicting kinetic constants of protein-protein interactions based on structural properties.
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- Proteins, 2011, v. 79, n. 3, p. 720, doi. 10.1002/prot.22904
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- Article
Dynamic property is a key determinant for protein-protein interactions.
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- Proteins, 2008, v. 70, n. 4, p. 1323, doi. 10.1002/prot.21625
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- Article
A combinatorial score to distinguish biological and nonbiological protein-protein interfaces.
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- Proteins, 2006, v. 64, n. 1, p. 68, doi. 10.1002/prot.20954
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- Article
PSI-DOCK: Towards highly efficient and accurate flexible ligand docking.
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- Proteins, 2006, v. 62, n. 4, p. 934, doi. 10.1002/prot.20790
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- Article
Estimating protein-ligand binding free energy: Atomic solvation parameters for partition coefficient and solvation free energy calculation.
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- Proteins, 2004, v. 57, n. 4, p. 651, doi. 10.1002/prot.20198
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Beyond the rotamer library: Genetic algorithm combined with the disturbing mutation process for upbuilding protein side-chains.
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- Proteins, 2003, v. 50, n. 1, p. 49, doi. 10.1002/prot.10253
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- Article
Potential of mean force for protein-protein interaction studies.
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- Proteins, 2002, v. 46, n. 2, p. 190, doi. 10.1002/prot.10031
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- Article
Modeling the third loop of short-chain snake venom neurotoxins: Roles of the short-range and long-range interactions.
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- Proteins, 2001, v. 42, n. 1, p. 6, doi. 10.1002/1097-0134(20010101)42:1<6::AID-PROT20>3.0.CO;2-7
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- Article
Covalent fusion inhibitors targeting HIV-1 gp41 deep pocket.
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- Amino Acids, 2013, v. 44, n. 2, p. 701, doi. 10.1007/s00726-012-1394-8
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- Article
miDruglikeness: Subdivisional Drug-Likeness Prediction Models Using Active Ensemble Learning Strategies.
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- Biomolecules (2218-273X), 2023, v. 13, n. 1, p. 29, doi. 10.3390/biom13010029
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- Article
CavitySpace: A Database of Potential Ligand Binding Sites in the Human Proteome.
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- Biomolecules (2218-273X), 2022, v. 12, n. 7, p. N.PAG, doi. 10.3390/biom12070967
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- Article
Serine synthesis through PHGDH coordinates nucleotide levels by maintaining central carbon metabolism.
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- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-07868-6
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- Article
iDrug: a web-accessible and interactive drug discovery and design platform.
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- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-28
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- Publication type:
- Article
iDrug: a web-accessible and interactive drug discovery and design platform.
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- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-28
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- Publication type:
- Article
Modulating the Substrate Specificity of LTA4H Aminopeptidase by Using Chemical Compounds and Small-Molecule-Guided Mutagenesis.
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- ChemBioChem, 2010, v. 11, n. 8, p. 1120, doi. 10.1002/cbic.200900788
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- Article
A fast and efficient program for modeling protein loops.
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- Biopolymers, 1997, v. 41, n. 1, p. 61, doi. 10.1002/(SICI)1097-0282(199701)41:1<61::AID-BIP6>3.0.CO;2-0
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- Article
Designing Cyclic-Constrained Peptides to Inhibit Human Phosphoglycerate Dehydrogenase.
- Published in:
- Molecules, 2023, v. 28, n. 17, p. 6430, doi. 10.3390/molecules28176430
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- Publication type:
- Article
A combined computational and experimental strategy identifies mutations conferring resistance to drugs targeting the BCR-ABL fusion protein.
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- Communications Biology, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42003-019-0743-5
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- Article
Position-dependent protein mutant profile based on mean force field calculation.
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- Protein Engineering, 1996, v. 9, n. 6, p. 479, doi. 10.1093/protein/9.6.479
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- Article
Bacterial chemoreceptors and chemoeffectors.
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- Cellular & Molecular Life Sciences, 2015, v. 72, n. 4, p. 691, doi. 10.1007/s00018-014-1770-5
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- Article
A new protein folding recognition potential function.
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- Proteins, 1995, v. 21, n. 2, p. 127, doi. 10.1002/prot.340210206
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- Article
Finding multiple target optimal intervention in disease-related molecular network.
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- Molecular Systems Biology, 2008, v. 4, n. 1, p. 1, doi. 10.1038/msb.2008.60
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- Article
Robustness and modular design of the Drosophila segment polarity network.
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- Molecular Systems Biology, 2006, v. 2, n. 1, p. 1, doi. 10.1038/msb4100111
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- Article