Pierce L - Search Results

1

Structural insight into the separate roles of inositol tetraphosphate and deacetylase-activating domain in activation of histone deacetylase 3.

Arrar M, Turnham R, Pierce L, de Oliveira CA, McCammon JA. Arrar M, et al. Among authors: pierce l. Protein Sci. 2013 Jan;22(1):83-92. doi: 10.1002/pro.2190. Epub 2012 Nov 29. Protein Sci. 2013. PMID: 23139175 Free PMC article.

2

Trypsinogen activation as observed in accelerated molecular dynamics simulations.

Boechi L, Pierce L, Komives EA, McCammon JA. Boechi L, et al. Among authors: pierce l. Protein Sci. 2014 Nov;23(11):1550-8. doi: 10.1002/pro.2532. Epub 2014 Aug 23. Protein Sci. 2014. PMID: 25131668 Free PMC article.

3

Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study.

Lindert S, Kekenes-Huskey PM, Huber G, Pierce L, McCammon JA. Lindert S, et al. Among authors: pierce l. J Phys Chem B. 2012 Jul 26;116(29):8449-59. doi: 10.1021/jp212173f. Epub 2012 Feb 14. J Phys Chem B. 2012. PMID: 22329450 Free PMC article.

4

Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics.

Pierce LC, Markwick PR, McCammon JA, Doltsinis NL. Pierce LC, et al. J Chem Phys. 2011 May 7;134(17):174107. doi: 10.1063/1.3581093. J Chem Phys. 2011. PMID: 21548673 Free PMC article.

5

The molecular dynamics of Trypanosoma brucei UDP-galactose 4'-epimerase: a drug target for African sleeping sickness.

Friedman AJ, Durrant JD, Pierce LC, McCorvie TJ, Timson DJ, McCammon JA. Friedman AJ, et al. Chem Biol Drug Des. 2012 Aug;80(2):173-81. doi: 10.1111/j.1747-0285.2012.01392.x. Epub 2012 May 2. Chem Biol Drug Des. 2012. PMID: 22487100 Free PMC article.

6

Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A Mutant.

Feher VA, Schiffer JM, Mermelstein DJ, Mih N, Pierce LCT, McCammon JA, Amaro RE. Feher VA, et al. Biophys J. 2019 Jan 22;116(2):205-214. doi: 10.1016/j.bpj.2018.09.035. Epub 2018 Dec 8. Biophys J. 2019. PMID: 30606449 Free PMC article.

7

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.

Bucher D, Pierce LC, McCammon JA, Markwick PR. Bucher D, et al. Among authors: pierce lc. J Chem Theory Comput. 2011 Apr 12;7(4):890-897. doi: 10.1021/ct100605v. Epub 2011 Mar 4. J Chem Theory Comput. 2011. PMID: 21494425 Free PMC article.

8

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics.

Ortiz-Sánchez JM, Bucher D, Pierce LC, Markwick PR, McCammon JA. Ortiz-Sánchez JM, et al. Among authors: pierce lc. J Chem Theory Comput. 2012 Aug 14;8(8):2752-2761. doi: 10.1021/ct200740r. Epub 2012 Jun 28. J Chem Theory Comput. 2012. PMID: 22904696 Free PMC article.

9

Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics.

Pierce LC, Salomon-Ferrer R, Augusto F de Oliveira C, McCammon JA, Walker RC. Pierce LC, et al. J Chem Theory Comput. 2012 Sep 11;8(9):2997-3002. doi: 10.1021/ct300284c. Epub 2012 Jul 27. J Chem Theory Comput. 2012. PMID: 22984356 Free PMC article.

10

Drug screening strategy for human membrane proteins: from NMR protein backbone structure to in silica- and NMR-screened hits.

Lindert S, Maslennikov I, Chiu EJ, Pierce LC, McCammon JA, Choe S. Lindert S, et al. Biochem Biophys Res Commun. 2014 Mar 21;445(4):724-33. doi: 10.1016/j.bbrc.2014.01.179. Epub 2014 Feb 10. Biochem Biophys Res Commun. 2014. PMID: 24525125 Free PMC article.

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