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Enhancing Protein-Ligand Binding Affinity Predictions using Neural Network Potentials.
ArXiv [Preprint]. 2024 Feb 14:arXiv:2401.16062v2.
ArXiv. 2024.
PMID: 38351937
Free PMC article.
Updated.
Preprint.
Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series.
Zariquiey FS, Pérez A, Majewski M, Gallicchio E, Fabritiis G.
Zariquiey FS, et al.
ArXiv [Preprint]. 2023 Mar 20:arXiv:2303.11065v1.
ArXiv. 2023.
PMID: 36994153
Free PMC article.
Updated.
Preprint.
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Development of Charge-Augmented Three-Point Water Model (CAIPi3P) for Accurate Simulations of Intrinsically Disordered Proteins.
de Souza JV, Zariquiey FS, Bronowska AK.
de Souza JV, et al. Among authors: zariquiey fs.
Int J Mol Sci. 2020 Aug 26;21(17):6166. doi: 10.3390/ijms21176166.
Int J Mol Sci. 2020.
PMID: 32859072
Free PMC article.
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