Orr AA - Search Results

1

Balancing Group 1 Monoatomic Ion-Polar Compound Interactions in the Polarizable Drude Force Field: Application in Protein and Nucleic Acid Systems.

Nan Y, Baral P, Orr AA, Michel HM, Lemkul JA, MacKerell AD Jr. Nan Y, et al. Among authors: orr aa. J Phys Chem B. 2024 Dec 12;128(49):12078-12091. doi: 10.1021/acs.jpcb.4c06354. Epub 2024 Dec 3. J Phys Chem B. 2024. PMID: 39625472

2

Preserving the Integrity of Empirical Force Fields.

Orr AA, Sharif S, Wang J, MacKerell AD Jr. Orr AA, et al. J Chem Inf Model. 2022 Aug 22;62(16):3825-3831. doi: 10.1021/acs.jcim.2c00615. Epub 2022 Aug 2. J Chem Inf Model. 2022. PMID: 35917398 Free PMC article.

3

Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge Prediction.

Orr AA, Tao A, Guvench O, MacKerell AD Jr. Orr AA, et al. Mol Pharm. 2023 May 1;20(5):2600-2611. doi: 10.1021/acs.molpharmaceut.3c00064. Epub 2023 Apr 5. Mol Pharm. 2023. PMID: 37017675 Free PMC article.

4

Uncovering the Binding and Specificity of β-Wrapins for Amyloid-β and α-Synuclein.

Orr AA, Wördehoff MM, Hoyer W, Tamamis P. Orr AA, et al. J Phys Chem B. 2016 Dec 22;120(50):12781-12794. doi: 10.1021/acs.jpcb.6b08485. Epub 2016 Dec 9. J Phys Chem B. 2016. PMID: 27934063

5

Computational Design of Functional Amyloid Materials with Cesium Binding, Deposition, and Capture Properties.

Jonnalagadda SVR, Kokotidou C, Orr AA, Fotopoulou E, Henderson KJ, Choi CH, Lim WT, Choi SJ, Jeong HK, Mitraki A, Tamamis P. Jonnalagadda SVR, et al. Among authors: orr aa. J Phys Chem B. 2018 Aug 2;122(30):7555-7568. doi: 10.1021/acs.jpcb.8b04103. Epub 2018 Jul 20. J Phys Chem B. 2018. PMID: 29975835

6

β-Lactoglobulin Enhances Clay and Activated Carbon Binding and Protection Properties for Cadmium and Lead.

Lilly K, Wang M, Orr AA, Bondos SE, Phillips TD, Tamamis P. Lilly K, et al. Among authors: orr aa. Ind Eng Chem Res. 2024 Sep 6;63(37):16124-16140. doi: 10.1021/acs.iecr.4c01774. eCollection 2024 Sep 18. Ind Eng Chem Res. 2024. PMID: 39319074 Free PMC article.

7

Computational design of a β-wrapin's N-terminal domain with canonical and non-canonical amino acid modifications mimicking curcumin's proposed inhibitory function.

Orr AA, Kuhlmann SK, Tamamis P. Orr AA, et al. Biophys Chem. 2022 Jul;286:106805. doi: 10.1016/j.bpc.2022.106805. Epub 2022 Mar 26. Biophys Chem. 2022. PMID: 35417810 Free article.

8

Combining Experimental Isotherms, Minimalistic Simulations, and a Model to Understand and Predict Chemical Adsorption onto Montmorillonite Clays.

Orr AA, Wang M, Beykal B, Ganesh HS, Hearon SE, Pistikopoulos EN, Phillips TD, Tamamis P. Orr AA, et al. ACS Omega. 2021 May 26;6(22):14090-14103. doi: 10.1021/acsomega.1c00481. eCollection 2021 Jun 8. ACS Omega. 2021. PMID: 34124432 Free PMC article.

9

Sequence-based identification of amyloidogenic β-hairpins reveals a prostatic acid phosphatase fragment promoting semen amyloid formation.

Heid LF, Agerschou ED, Orr AA, Kupreichyk T, Schneider W, Wördehoff MM, Schwarten M, Willbold D, Tamamis P, Stoldt M, Hoyer W. Heid LF, et al. Among authors: orr aa. Comput Struct Biotechnol J. 2023 Dec 21;23:417-430. doi: 10.1016/j.csbj.2023.12.023. eCollection 2024 Dec. Comput Struct Biotechnol J. 2023. PMID: 38223341 Free PMC article.

10

Computational and Experimental Protocols to Study Cyclo-dihistidine Self- and Co-assembly: Minimalistic Bio-assemblies with Enhanced Fluorescence and Drug Encapsulation Properties.

Orr AA, Chen Y, Gazit E, Tamamis P. Orr AA, et al. Methods Mol Biol. 2022;2405:179-203. doi: 10.1007/978-1-0716-1855-4_10. Methods Mol Biol. 2022. PMID: 35298815

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

38 results

Search Page

Filters