Remington JM - Search Results

1

Real-World Applications and Experiences of AI/ML Deployment for Drug Discovery.

Pitt WR, Bentley J, Boldron C, Colliandre L, Esposito C, Frush EH, Kopec J, Labouille S, Meneyrol J, Pardoe DA, Palazzesi F, Pozzan A, Remington JM, Rex R, Southey M, Vishwakarma S, Walker P. Pitt WR, et al. Among authors: remington jm. J Med Chem. 2025 Jan 23;68(2):851-859. doi: 10.1021/acs.jmedchem.4c03044. Epub 2025 Jan 8. J Med Chem. 2025. PMID: 39772505 No abstract available.

2

Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin.

McCarthy DR, Remington JM, Ferrell JB, Schneebeli ST, Li J. McCarthy DR, et al. Among authors: remington jm. J Chem Theory Comput. 2023 Nov 14;19(21):7873-7881. doi: 10.1021/acs.jctc.3c00720. Epub 2023 Oct 25. J Chem Theory Comput. 2023. PMID: 37877553 Free PMC article.

3

Two-Dimensional Supramolecular Polymerization of DNA Amphiphiles is Driven by Sequence-Dependent DNA-Chromophore Interactions.

Ghufran Rafique M, Remington JM, Clark F, Bai H, Toader V, Perepichka DF, Li J, Sleiman HF. Ghufran Rafique M, et al. Among authors: remington jm. Angew Chem Int Ed Engl. 2023 Jun 12;62(24):e202217814. doi: 10.1002/anie.202217814. Epub 2023 May 8. Angew Chem Int Ed Engl. 2023. PMID: 36939824 Free PMC article.

4

GPCRLigNet: rapid screening for GPCR active ligands using machine learning.

Remington JM, McKay KT, Beckage NB, Ferrell JB, Schneebeli ST, Li J. Remington JM, et al. J Comput Aided Mol Des. 2023 Mar;37(3):147-156. doi: 10.1007/s10822-023-00497-2. Epub 2023 Feb 25. J Comput Aided Mol Des. 2023. PMID: 36840893 Free PMC article.

5

A Photoresponsive Intramolecular Triplex Motif That Enables Rapid and Reversible Control of Aptamer Binding Activity.

Trinh T, Thompson IAP, Clark F, Remington JM, Eisenstein M, Li J, Soh HT. Trinh T, et al. Among authors: remington jm. ACS Nano. 2022 Sep 27;16(9):14549-14557. doi: 10.1021/acsnano.2c05010. Epub 2022 Sep 12. ACS Nano. 2022. PMID: 36094303

6

Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery.

McKay K, Hamilton NB, Remington JM, Schneebeli ST, Li J. McKay K, et al. Among authors: remington jm. Front Mol Biosci. 2022 Jun 29;9:879212. doi: 10.3389/fmolb.2022.879212. eCollection 2022. Front Mol Biosci. 2022. PMID: 35847975 Free PMC article.

7

GPCR Intracellular Loop Regulation of Beta-Arrestin-Mediated Endosomal Signaling Dynamics.

Li J, Remington JM, Liao C, Parsons RL, Schneebeli S, Braas KM, May V, Brewer M. Li J, et al. Among authors: remington jm. J Mol Neurosci. 2022 Jun;72(6):1358-1373. doi: 10.1007/s12031-022-02016-8. Epub 2022 May 10. J Mol Neurosci. 2022. PMID: 35538393 Free PMC article.

8

Concerted Rolling and Penetration of Peptides during Membrane Binding.

Remington JM, Ferrell JB, Schneebeli ST, Li J. Remington JM, et al. J Chem Theory Comput. 2022 Jun 14;18(6):3921-3929. doi: 10.1021/acs.jctc.2c00014. Epub 2022 May 4. J Chem Theory Comput. 2022. PMID: 35507824 Free PMC article.

9

Molecular Basis for Environment Sensing by a Nucleoid-Structuring Bacterial Protein Filament.

Zhao X, Remington JM, Schneebeli ST, Arold ST, Li J. Zhao X, et al. Among authors: remington jm. J Phys Chem Lett. 2021 Aug 19;12(32):7878-7884. doi: 10.1021/acs.jpclett.1c01710. Epub 2021 Aug 12. J Phys Chem Lett. 2021. PMID: 34382809 Free PMC article.

10

A computational study of cooperative binding to multiple SARS-CoV-2 proteins.

Li J, McKay KT, Remington JM, Schneebeli ST. Li J, et al. Among authors: remington jm. Sci Rep. 2021 Aug 11;11(1):16307. doi: 10.1038/s41598-021-95826-6. Sci Rep. 2021. PMID: 34381116 Free PMC article.

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