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Thermodynamics-inspired explanations of artificial intelligence.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-51970-x
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Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE.
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- eLife, 2024, p. 1, doi. 10.7554/eLife.99702
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- Article
Thermodynamics-inspired explanations of artificial intelligence.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-51970-x
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- Publication type:
- Article
Protein Flexibility and Dissociation Pathway Differentiation Can Explain Onset of Resistance Mutations in Kinases*.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 28, p. 1, doi. 10.1002/anie.202200983
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Learning molecular dynamics with simple language model built upon long short-term memory neural network.
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- Nature Communications, 2020, v. 11, n. 1, p. 1, doi. 10.1038/s41467-020-18959-8
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JARVIS-Leaderboard: a large scale benchmark of materials design methods.
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- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01259-w
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Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics.
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- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-11405-4
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- Article
Protein Flexibility and Dissociation Pathway Differentiation Can Explain Onset of Resistance Mutations in Kinases*.
- Published in:
- Angewandte Chemie, 2022, v. 134, n. 28, p. 1, doi. 10.1002/ange.202200983
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- Article