Carpenter TS - Search Results

1

Correlated conformational dynamics of the human GluN1-GluN2A type N-methyl-D-aspartate (NMDA) receptor.

Essiz S, Gencel M, Aktolun M, Demir A, Carpenter TS, Servili B. Essiz S, et al. Among authors: carpenter ts. J Mol Model. 2021 May 10;27(6):162. doi: 10.1007/s00894-021-04755-8. J Mol Model. 2021. PMID: 33969428

2

A role for loop F in modulating GABA binding affinity in the GABA(A) receptor.

Carpenter TS, Lau EY, Lightstone FC. Carpenter TS, et al. J Mol Biol. 2012 Sep 14;422(2):310-23. doi: 10.1016/j.jmb.2012.05.025. Epub 2012 May 30. J Mol Biol. 2012. PMID: 22659322

3

Identification of a possible secondary picrotoxin-binding site on the GABA(A) receptor.

Carpenter TS, Lau EY, Lightstone FC. Carpenter TS, et al. Chem Res Toxicol. 2013 Oct 21;26(10):1444-54. doi: 10.1021/tx400167b. Epub 2013 Oct 2. Chem Res Toxicol. 2013. PMID: 24028067

4

An Electrostatic Funnel in the GABA-Binding Pathway.

Carpenter TS, Lightstone FC. Carpenter TS, et al. PLoS Comput Biol. 2016 Apr 27;12(4):e1004831. doi: 10.1371/journal.pcbi.1004831. eCollection 2016 Apr. PLoS Comput Biol. 2016. PMID: 27119953 Free PMC article.

5

Decoupling copolymer, lipid and carbon nanotube interactions in hybrid, biomimetic vesicles.

Hammons JA , Ingólfsson HI , Lee JRI , Carpenter TS , Sanborn J , Tunuguntla R , Yao YC , Weiss TM , Noy A , Van Buuren T . Hammons JA , et al. Among authors: carpenter ts. Nanoscale. 2020 Mar 21;12(11):6545-6555. doi: 10.1039/c9nr09973e. Epub 2020 Mar 11. Nanoscale. 2020. PMID: 32159198

6

Molecular Dynamics Simulations Reveal the Conformational Flexibility of Lipid II and Its Loose Association with the Defensin Plectasin in the Staphylococcus aureus Membrane.

Witzke S, Petersen M, Carpenter TS, Khalid S. Witzke S, et al. Among authors: carpenter ts. Biochemistry. 2016 Jun 14;55(23):3303-14. doi: 10.1021/acs.biochem.5b01315. Epub 2016 May 27. Biochemistry. 2016. PMID: 27158738

7

Multiscale Modeling and Simulation Approaches to Lipid-Protein Interactions.

Huber RG, Carpenter TS, Dube N, Holdbrook DA, Ingólfsson HI, Irvine WA, Marzinek JK, Samsudin F, Allison JR, Khalid S, Bond PJ. Huber RG, et al. Among authors: carpenter ts. Methods Mol Biol. 2019;2003:1-30. doi: 10.1007/978-1-4939-9512-7_1. Methods Mol Biol. 2019. PMID: 31218611

8

MemSurfer: A Tool for Robust Computation and Characterization of Curved Membranes.

Bhatia H, Ingólfsson HI, Carpenter TS, Lightstone FC, Bremer PT. Bhatia H, et al. Among authors: carpenter ts. J Chem Theory Comput. 2019 Nov 12;15(11):6411-6421. doi: 10.1021/acs.jctc.9b00453. Epub 2019 Oct 31. J Chem Theory Comput. 2019. PMID: 31564100 Free article.

9

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework.

López CA, Zhang X, Aydin F, Shrestha R, Van QN, Stanley CB, Carpenter TS, Nguyen K, Patel LA, Chen D, Burns V, Hengartner NW, Reddy TJE, Bhatia H, Di Natale F, Tran TH, Chan AH, Simanshu DK, Nissley DV, Streitz FH, Stephen AG, Turbyville TJ, Lightstone FC, Gnanakaran S, Ingólfsson HI, Neale C. López CA, et al. Among authors: carpenter ts. J Chem Theory Comput. 2022 Aug 9;18(8):5025-5045. doi: 10.1021/acs.jctc.2c00168. Epub 2022 Jul 22. J Chem Theory Comput. 2022. PMID: 35866871

10

A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations.

Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC. Carpenter TS, et al. Biophys J. 2014 Aug 5;107(3):630-641. doi: 10.1016/j.bpj.2014.06.024. Biophys J. 2014. PMID: 25099802 Free PMC article.

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