Green AT - Search Results

1

Computational and Experimental Characterization of rDNA and rRNA G-Quadruplexes.

Green AT, Pickard AJ, Li R, MacKerell AD Jr, Bierbach U, Cho SS. Green AT, et al. J Phys Chem B. 2022 Jan 27;126(3):609-619. doi: 10.1021/acs.jpcb.1c08340. Epub 2022 Jan 13. J Phys Chem B. 2022. PMID: 35026949 Free PMC article.

2

Ligand-Dependent Sodium Ion Dynamics within the A_2A Adenosine Receptor: A Molecular Dynamics Study.

Hu X, Smith MD, Humphreys BM, Green AT, Parks JM, Baudry JY, Smith JC. Hu X, et al. Among authors: green at. J Phys Chem B. 2019 Sep 26;123(38):7947-7954. doi: 10.1021/acs.jpcb.9b04474. Epub 2019 Sep 12. J Phys Chem B. 2019. PMID: 31483659

3

TMAO Destabilizes RNA Secondary Structure via Direct Hydrogen Bond Interactions.

Cho SS, Green AT, Hyeon C, Thirumalai D. Cho SS, et al. Among authors: green at. J Phys Chem B. 2023 Jan 19;127(2):438-445. doi: 10.1021/acs.jpcb.2c05434. Epub 2023 Jan 5. J Phys Chem B. 2023. PMID: 36602908

4

Identification and Structure-Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli.

Haynes KM, Abdali N, Jhawar V, Zgurskaya HI, Parks JM, Green AT, Baudry J, Rybenkov VV, Smith JC, Walker JK. Haynes KM, et al. Among authors: green at. J Med Chem. 2017 Jul 27;60(14):6205-6219. doi: 10.1021/acs.jmedchem.7b00453. Epub 2017 Jul 11. J Med Chem. 2017. PMID: 28650638 Free PMC article.

5

Identification of Binding Sites for Efflux Pump Inhibitors of the AcrAB-TolC Component AcrA.

Darzynkiewicz ZM, Green AT, Abdali N, Hazel A, Fulton RL, Kimball J, Gryczynski Z, Gumbart JC, Parks JM, Smith JC, Zgurskaya HI. Darzynkiewicz ZM, et al. Among authors: green at. Biophys J. 2019 Feb 19;116(4):648-658. doi: 10.1016/j.bpj.2019.01.010. Epub 2019 Jan 12. Biophys J. 2019. PMID: 30691677 Free PMC article.

6

A first principles derivation of energy-conserving momentum jumps in surface hopping simulations.

Huang DM, Green AT, Martens CC. Huang DM, et al. Among authors: green at. J Chem Phys. 2023 Dec 7;159(21):214108. doi: 10.1063/5.0178534. J Chem Phys. 2023. PMID: 38047505

7

Zombie cats on the quantum-classical frontier: Wigner-Moyal and semiclassical limit dynamics of quantum coherence in molecules.

Green AT, Martens CC. Green AT, et al. J Chem Phys. 2023 Nov 28;159(20):204102. doi: 10.1063/5.0177421. J Chem Phys. 2023. PMID: 37991156

8

Development and Evaluation of a Virtual Population of Children with Obesity for Physiologically Based Pharmacokinetic Modeling.

Gerhart JG, Carreño FO, Edginton AN, Sinha J, Perrin EM, Kumar KR, Rikhi A, Hornik CP, Harris V, Ganguly S, Cohen-Wolkowiez M, Gonzalez D; Best Pharmaceuticals for Children Act—Pediatric Trials Network Steering Committee. Gerhart JG, et al. Clin Pharmacokinet. 2022 Feb;61(2):307-320. doi: 10.1007/s40262-021-01072-4. Epub 2021 Oct 7. Clin Pharmacokinet. 2022. PMID: 34617262 Free PMC article.

9

Discovery of multidrug efflux pump inhibitors with a novel chemical scaffold.

Green AT, Moniruzzaman M, Cooper CJ, Walker JK, Smith JC, Parks JM, Zgurskaya HI. Green AT, et al. Biochim Biophys Acta Gen Subj. 2020 Jun;1864(6):129546. doi: 10.1016/j.bbagen.2020.129546. Epub 2020 Feb 4. Biochim Biophys Acta Gen Subj. 2020. PMID: 32032658 Free PMC article.

10

Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a Membrane Fusion Protein of the AcrAB-TolC Multidrug Efflux Pump.

Abdali N, Parks JM, Haynes KM, Chaney JL, Green AT, Wolloscheck D, Walker JK, Rybenkov VV, Baudry J, Smith JC, Zgurskaya HI. Abdali N, et al. Among authors: green at. ACS Infect Dis. 2017 Jan 13;3(1):89-98. doi: 10.1021/acsinfecdis.6b00167. Epub 2016 Nov 2. ACS Infect Dis. 2017. PMID: 27768847 Free PMC article.

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