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Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures.
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- Machine Learning & Knowledge Extraction, 2024, v. 6, n. 1, p. 642, doi. 10.3390/make6010030
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- Article
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery.
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- Membranes, 2023, v. 13, n. 11, p. 851, doi. 10.3390/membranes13110851
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- Article
Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules.
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- Membranes, 2022, v. 12, n. 4, p. N.PAG, doi. 10.3390/membranes12040350
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- Article
ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling.
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- Molecules, 2024, v. 29, n. 15, p. 3557, doi. 10.3390/molecules29153557
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- Article
The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.
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- FASEB Journal, 2009, v. 23, n. 5, p. 1287, doi. 10.1096/fj.08-121855
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- Article
Design and Characterization of a Multifunctional pH-Triggered Peptide C8 for Selective Anticancer Activity.
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- Advanced Healthcare Materials, 2015, v. 4, n. 17, p. 2709, doi. 10.1002/adhm.201500636
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- Article