Mozzarelli A - Search Results

1

Mapping the energetics of water-protein and water-ligand interactions with the "natural" HINT forcefield: predictive tools for characterizing the roles of water in biomolecules.

Amadasi A, Spyrakis F, Cozzini P, Abraham DJ, Kellogg GE, Mozzarelli A. Amadasi A, et al. Among authors: mozzarelli a. J Mol Biol. 2006 Apr 21;358(1):289-309. doi: 10.1016/j.jmb.2006.01.053. Epub 2006 Feb 2. J Mol Biol. 2006. PMID: 16497327

2

Structure and oxygen affinity of crystalline desArg141 alpha human hemoglobin A in the T state.

Kavanaugh JS, Chafin DR, Arnone A, Mozzarelli A, Rivetti C, Rossi GL, Kwiatkowski LD, Noble RW. Kavanaugh JS, et al. Among authors: mozzarelli a. J Mol Biol. 1995 Apr 21;248(1):136-50. doi: 10.1006/jmbi.1995.0207. J Mol Biol. 1995. PMID: 7731039

3

Allosteric mechanism of haemoglobin: rupture of salt-bridges raises the oxygen affinity of the T-structure.

Bettati S, Mozzarelli A, Perutz MF. Bettati S, et al. Among authors: mozzarelli a. J Mol Biol. 1998 Aug 28;281(4):581-5. doi: 10.1006/jmbi.1998.1983. J Mol Biol. 1998. PMID: 9710531

4

Catalytic competence of O-acetylserine sulfhydrylase in the crystal probed by polarized absorption microspectrophotometry.

Mozzarelli A, Bettati S, Pucci AM, Burkhard P, Cook PF. Mozzarelli A, et al. J Mol Biol. 1998;283(1):135-46. doi: 10.1006/jmbi.1998.2038. J Mol Biol. 1998. PMID: 9761679

5

Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.

Bolognesi M, Boffi A, Coletta M, Mozzarelli A, Pesce A, Tarricone C, Ascenzi P. Bolognesi M, et al. Among authors: mozzarelli a. J Mol Biol. 1999 Aug 20;291(3):637-50. doi: 10.1006/jmbi.1999.2975. J Mol Biol. 1999. PMID: 10448042

6

Novel allosteric effectors of the tryptophan synthase alpha(2)beta(2) complex identified by computer-assisted molecular modeling.

Marabotti A, Cozzini P, Mozzarelli A. Marabotti A, et al. Among authors: mozzarelli a. Biochim Biophys Acta. 2000 Feb 9;1476(2):287-99. doi: 10.1016/s0167-4838(99)00242-3. Biochim Biophys Acta. 2000. PMID: 10669793

7

HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands.

Marabotti A, Balestreri L, Cozzini P, Mozzarelli A, Kellogg GE, Abraham DJ. Marabotti A, et al. Among authors: mozzarelli a. Bioorg Med Chem Lett. 2000 Sep 18;10(18):2129-32. doi: 10.1016/s0960-894x(00)00414-5. Bioorg Med Chem Lett. 2000. PMID: 10999486

8

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water.

Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A. Cozzini P, et al. Among authors: mozzarelli a. J Med Chem. 2002 Jun 6;45(12):2469-83. doi: 10.1021/jm0200299. J Med Chem. 2002. PMID: 12036355

9

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 2. Computational titration and pH effects in molecular models of neuraminidase-inhibitor complexes.

Fornabaio M, Cozzini P, Mozzarelli A, Abraham DJ, Kellogg GE. Fornabaio M, et al. Among authors: mozzarelli a. J Med Chem. 2003 Oct 9;46(21):4487-500. doi: 10.1021/jm0302593. J Med Chem. 2003. PMID: 14521411

10

Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets.

Kellogg GE, Fornabaio M, Spyrakis F, Lodola A, Cozzini P, Mozzarelli A, Abraham DJ. Kellogg GE, et al. Among authors: mozzarelli a. J Mol Graph Model. 2004 Jul;22(6):479-86. doi: 10.1016/j.jmgm.2004.03.008. J Mol Graph Model. 2004. PMID: 15182807

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