Baudry J - Search Results

1

Derivation of mean-square displacements for protein dynamics from elastic incoherent neutron scattering.

Yi Z, Miao Y, Baudry J, Jain N, Smith JC. Yi Z, et al. Among authors: baudry j. J Phys Chem B. 2012 Apr 26;116(16):5028-36. doi: 10.1021/jp2102868. Epub 2012 Apr 13. J Phys Chem B. 2012. PMID: 22471396

2

Can proteins and crystals self-catalyze methyl rotations?

Baudry J, Smith JC. Baudry J, et al. J Phys Chem B. 2005 Nov 3;109(43):20572-8. doi: 10.1021/jp053111z. J Phys Chem B. 2005. PMID: 16853663

3

Key role of active-site water molecules in bacteriorhodopsin proton-transfer reactions.

Bondar AN, Baudry J, Suhai S, Fischer S, Smith JC. Bondar AN, et al. Among authors: baudry j. J Phys Chem B. 2008 Nov 27;112(47):14729-41. doi: 10.1021/jp801916f. J Phys Chem B. 2008. PMID: 18973373

4

Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers.

Collignon B, Schulz R, Smith JC, Baudry J. Collignon B, et al. Among authors: baudry j. J Comput Chem. 2011 Apr 30;32(6):1202-9. doi: 10.1002/jcc.21696. Epub 2010 Dec 7. J Comput Chem. 2011. PMID: 21387347

5

Three-dimensional mapping of microenvironmental control of methyl rotational barriers.

Hembree WI, Baudry J. Hembree WI, et al. Among authors: baudry j. J Phys Chem B. 2011 Jul 7;115(26):8575-80. doi: 10.1021/jp201887v. Epub 2011 Jun 10. J Phys Chem B. 2011. PMID: 21634366

6

Active-site hydration and water diffusion in cytochrome P450cam: a highly dynamic process.

Miao Y, Baudry J. Miao Y, et al. Among authors: baudry j. Biophys J. 2011 Sep 21;101(6):1493-503. doi: 10.1016/j.bpj.2011.08.020. Epub 2011 Sep 20. Biophys J. 2011. PMID: 21943431 Free PMC article.

7

Temperature-dependent dynamical transitions of different classes of amino acid residue in a globular protein.

Miao Y, Yi Z, Glass DC, Hong L, Tyagi M, Baudry J, Jain N, Smith JC. Miao Y, et al. Among authors: baudry j. J Am Chem Soc. 2012 Dec 5;134(48):19576-9. doi: 10.1021/ja3097898. Epub 2012 Nov 20. J Am Chem Soc. 2012. PMID: 23140218

8

Coupled flexibility change in cytochrome P450cam substrate binding determined by neutron scattering, NMR, and molecular dynamics simulation.

Miao Y, Yi Z, Cantrell C, Glass DC, Baudry J, Jain N, Smith JC. Miao Y, et al. Among authors: baudry j. Biophys J. 2012 Nov 21;103(10):2167-76. doi: 10.1016/j.bpj.2012.10.013. Epub 2012 Nov 20. Biophys J. 2012. PMID: 23200050 Free PMC article.

9

Three entropic classes of side chain in a globular protein.

Glass DC, Krishnan M, Smith JC, Baudry J. Glass DC, et al. Among authors: baudry j. J Phys Chem B. 2013 Mar 21;117(11):3127-34. doi: 10.1021/jp400564q. Epub 2013 Mar 8. J Phys Chem B. 2013. PMID: 23421556

10

VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers.

Ellingson SR, Smith JC, Baudry J. Ellingson SR, et al. Among authors: baudry j. J Comput Chem. 2013 Sep 30;34(25):2212-21. doi: 10.1002/jcc.23367. J Comput Chem. 2013. PMID: 23813626

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