Molecular modeling and dynamics simulations of PNP from Streptococcus agalactiae

Lindahl, 2005, Clin. Microbiol. Rev., 18, 102, 10.1128/CMR.18.1.102-127.2005 Montgomery, 1993, Med. Res. Rev., 13, 209, 10.1002/med.2610130302 Kalckar, 1947, J. Biol. Chem., 167, 429, 10.1016/S0021-9258(17)30997-3 Canduri, 2005, Biochem. Biophys. Res. Commun., 327, 646, 10.1016/j.bbrc.2004.12.052 Bzowska, 2000, Pharmacol. Ther., 88, 349, 10.1016/S0163-7258(00)00097-8 Pugmire, 2002, Biochem. J., 361, 1, 10.1042/0264-6021:3610001 Silva, 2007, Curr. Drugs Target, 8, 413, 10.2174/138945007780058997 Delano, 2005, Abstr. Pap. Am. Chem. Soc., 230, 1371 Azevedo, 2003, Biochem. Biophys. Res. Commun., 308, 545, 10.1016/S0006-291X(03)01431-1 Chou, 1978, Adv. Enzymol. Relat. Areas Mol. Biol., 47, 45 Jones, 1999, J. Mol. Biol., 292, 195, 10.1006/jmbi.1999.3091 Mark, 1994, J. Mol. Biol., 240, 167, 10.1006/jmbi.1994.1430 Williams, 1999, Perspect. Drug Discovery Des., 17, 43, 10.1023/A:1008770523049 Alexander, 2005, Biophys. J., 88, 1009, 10.1529/biophysj.104.053421 Nunez, 2006, J. Phys. Chem., 110, 463, 10.1021/jp051277u Kroemer, 1996, Protein Eng., 9, 493, 10.1093/protein/9.6.493 dos Santos, 2003, Biochem. Biophys. Res. Commun., 308, 553, 10.1016/S0006-291X(03)01433-5 de Azevedo, 2003, Biochem. Biophys. Res. Commun., 312, 767, 10.1016/j.bbrc.2003.10.190 Silva, 2005, Arch. Biochem. Biophys., 442, 49, 10.1016/j.abb.2005.07.021 Canduri, 2005, Acta Crystallogr., Sect. D Biol. Crystallogr., 61, 856, 10.1107/S0907444905005421 Canduri, 2004, Biochem. Biophys. Res. Commun., 313, 907, 10.1016/j.bbrc.2003.11.179 Uchoa, 2004, Biophys. Res. Commun., 325, 1481, 10.1016/j.bbrc.2004.10.192 Sali, 1993, J. Mol. Biol., 234, 779, 10.1006/jmbi.1993.1626 Canduri, 2004, Biochem. Biophys. Res. Commun., 324, 661, 10.1016/j.bbrc.2004.09.109 Hall, 1999, Nucleic Acids Symp. Ser., 41, 95 De Azevedo, 1996, Proc. Natl. Acad. Sci. U.S.A., 93, 2735, 10.1073/pnas.93.7.2735 Wang, 1998, J. Mol. Mod., 4, 379, 10.1007/s008940050096 Boehm, 1996, Angew. Chem. Int. Ed. Engl., 35, 2588, 10.1002/anie.199625881 Matsumara, 1988, Nature, 334, 406, 10.1038/334406a0 Nauchatel, 1995, Protein Sci., 4, 1356, 10.1002/pro.5560040711 Wang, 2005, J. Med. Chem., 48, 4111, 10.1021/jm048957q Lee, 1971, J. Mol. Biol., 55, 379, 10.1016/0022-2836(71)90324-X 1994, Acta Crystallogr., Sect. D Biol. Crystallogr., 50, 760, 10.1107/S0907444994003112 Chen, 2003, Proteins, 52, 80, 10.1002/prot.10389 Laskowski, 1993, J. Appl. Crystallogr., 26, 283, 10.1107/S0021889892009944 Wallace, 1995, Protein Eng., 8, 127, 10.1093/protein/8.2.127 Spoel, 2005, J. Comput. Chem., 26, 1701, 10.1002/jcc.20291 Ooestenbrik, 2005, Eur. Biophys. J., 34, 273, 10.1007/s00249-004-0448-6 van Aalten, 1996, J. Comput. Aided Mol. Des., 10, 255, 10.1007/BF00355047 Schmidt, 1993, J. Comput. Chem., 14, 1347, 10.1002/jcc.540141112 Berendsen, 1981, Interaction models for water in relation to protein hydration, 331 Hess, 1997, J. Comput. Chem., 18, 1463, 10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H Miyamoto, 1992, Comput. Chem., 13, 952, 10.1002/jcc.540130805 Chowdhuri, 2006, J. Chem. Phys., 125, 144513, 10.1063/1.2357117 Darden, 1993, J. Chem. Phys., 98, 10089, 10.1063/1.464397 de Souza, 1999, J. Biomol. Struct. Dyn., 16, 1205, 10.1080/07391102.1999.10508328 Hünenberger, 1995, J. Mol. Biol., 252, 492, 10.1006/jmbi.1995.0514 van Gunsteren, 1998, J. Chem. Phys., 108, 6109, 10.1063/1.476021