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CO 2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?
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- Molecules, 2023, v. 28, n. 18, p. 6447, doi. 10.3390/molecules28186447
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- Article
Exploring the Universe of Protein Structures beyond the Protein Data Bank.
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- PLoS Computational Biology, 2010, v. 6, n. 11, p. 1, doi. 10.1371/journal.pcbi.1000957
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- Article
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations.
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- PLoS Computational Biology, 2009, v. 5, n. 8, p. 1, doi. 10.1371/journal.pcbi.1000452
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- Article
Combining theoretical and experimental data to decipher CFTR 3D structures and functions.
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- Cellular & Molecular Life Sciences, 2018, v. 75, n. 20, p. 3829, doi. 10.1007/s00018-018-2835-7
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- Article
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation.
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- Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-02300-x
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- Article
Regulation of Bestrophins by Ca<sup>2+</sup>: A Theoretical and Experimental Study.
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- PLoS ONE, 2009, v. 4, n. 3, p. 1, doi. 10.1371/journal.pone.0004672
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- Article
Reaction dynamics of CO2 in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1834-8
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- Article
HIV-1 Protease Dimerization Dynamics Reveals a Transient Druggable Binding Pocket at the Interface.
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- Scientific Reports, 2015, p. 18555, doi. 10.1038/srep18555
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- Article