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De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep Learning Framework.
bioRxiv [Preprint]. 2023 Apr 26:2023.04.25.537995. doi: 10.1101/2023.04.25.537995.
bioRxiv. 2023.
PMID: 37162828
Free PMC article.
Updated.
Preprint.
Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders.
Ribeiro JML, Filizola M.
Ribeiro JML, et al.
Front Mol Neurosci. 2019 Aug 23;12:207. doi: 10.3389/fnmol.2019.00207. eCollection 2019.
Front Mol Neurosci. 2019.
PMID: 31507375
Free PMC article.
Review.
Item in Clipboard
Past-future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics.
Wang Y, Ribeiro JML, Tiwary P.
Wang Y, et al. Among authors: ribeiro jml.
Nat Commun. 2019 Aug 8;10(1):3573. doi: 10.1038/s41467-019-11405-4.
Nat Commun. 2019.
PMID: 31395868
Free PMC article.
Item in Clipboard
Kinetics of Ligand-Protein Dissociation from All-Atom Simulations: Are We There Yet?
Ribeiro JML, Tsai ST, Pramanik D, Wang Y, Tiwary P.
Ribeiro JML, et al.
Biochemistry. 2019 Jan 22;58(3):156-165. doi: 10.1021/acs.biochem.8b00977. Epub 2018 Dec 28.
Biochemistry. 2019.
PMID: 30547565
Review.
Item in Clipboard
Reweighted autoencoded variational Bayes for enhanced sampling (RAVE).
Ribeiro JML, Bravo P, Wang Y, Tiwary P.
Ribeiro JML, et al.
J Chem Phys. 2018 Aug 21;149(7):072301. doi: 10.1063/1.5025487.
J Chem Phys. 2018.
PMID: 30134694
Item in Clipboard
Extensin network formation in Vitis vinifera callus cells is an essential and causal event in rapid and H(2)O(2)-induced reduction in primary cell wall hydration.
Pereira CS, Ribeiro JM, Vatulescu AD, Findlay K, MacDougall AJ, Jackson PA.
Pereira CS, et al.
BMC Plant Biol. 2011 Jun 14;11:106. doi: 10.1186/1471-2229-11-106.
BMC Plant Biol. 2011.
PMID: 21672244
Free PMC article.
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