Publications
Found 56 results
Filters: Keyword is Models, Molecular and Author is Shoshana J Wodak [Clear All Filters]
"Standard atomic volumes in double-stranded DNA and packing in protein--DNA interfaces.",
Nucleic Acids Res, vol. 29, issue 16, pp. 3362-76, 2001 Aug 15.
"The TXP motif in the second transmembrane helix of CCR5. A structural determinant of chemokine-induced activation.",
J Biol Chem, vol. 276, issue 16, pp. 13217-25, 2001 Apr 20.
"Automatic protein design with all atom force-fields by exact and heuristic optimization.",
J Mol Biol, vol. 301, issue 3, pp. 713-36, 2000 Aug 18.
"Pathways of ligand clearance in acetylcholinesterase by multiple copy sampling.",
J Mol Biol, vol. 298, issue 4, pp. 705-26, 2000 May 12.
"Effect of mutations within the peripheral anionic site on the stability of acetylcholinesterase.",
Mol Pharmacol, vol. 55, issue 6, pp. 982-92, 1999 Jun.
"SFCHECK: a unified set of procedures for evaluating the quality of macromolecular structure-factor data and their agreement with the atomic model.",
Acta Crystallogr D Biol Crystallogr, vol. 55, issue Pt 1, pp. 191-205, 1999 Jan.
"Structural features of protein-nucleic acid recognition sites.",
Biochemistry, vol. 38, issue 7, pp. 1999-2017, 1999 Feb 16.
"Analysis of zinc binding sites in protein crystal structures.",
Protein Sci, vol. 7, issue 8, pp. 1700-16, 1998 Aug.
"Conformational analysis of GpA and GpAp in aqueous solution by molecular dynamics and statistical methods.",
J Mol Biol, vol. 283, issue 4, pp. 863-82, 1998 Nov 6.
"Effect of nucleotide substrate binding on the pKa of catalytic residues in barnase.",
Proteins, vol. 25, issue 2, pp. 180-94, 1996 Jun.
"Properties of the protein matrix revealed by the free energy of cavity formation.",
Structure, vol. 4, issue 12, pp. 1517-29, 1996 Dec 15.
"Automatic analysis of protein conformational changes by multiple linkage clustering.",
J Mol Biol, vol. 253, issue 4, pp. 633-47, 1995 Nov 3.
"Modeling of the three-dimensional structure of proteins with the typical leucine-rich repeats.",
Structure, vol. 3, issue 9, pp. 867-77, 1995 Sep 15.
"NMR sequential assignments and solution structure of chlorotoxin, a small scorpion toxin that blocks chloride channels.",
Biochemistry, vol. 34, issue 1, pp. 13-21, 1995 Jan 10.
"Protein structure prediction by threading methods: evaluation of current techniques.",
Proteins, vol. 23, issue 3, pp. 337-55, 1995 Nov.
"Unfolding simulations of the 85-102 beta-hairpin of barnase.",
J Mol Biol, vol. 251, issue 3, pp. 432-47, 1995 Aug 18.
"Conformational properties of four peptides corresponding to alpha-helical regions of Rhodospirillum cytochrome c2 and bovine calcium binding protein.",
Biochemistry, vol. 33, issue 37, pp. 11158-73, 1994 Sep 20.
"Homo- and heteronuclear two-dimensional NMR studies of the globular domain of histone H1: full assignment, tertiary structure, and comparison with the globular domain of histone H5.",
Biochemistry, vol. 33, issue 37, pp. 11079-86, 1994 Sep 20.
"Extracting information on folding from the amino acid sequence: consensus regions with preferred conformation in homologous proteins.",
Biochemistry, vol. 31, issue 42, pp. 10239-49, 1992 Oct 27.
"Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 3. Changing metal specificity and the pH profile by site-directed mutagenesis.",
Biochemistry, vol. 31, issue 24, pp. 5467-71, 1992 Jun 23.
"Recurrent alpha beta loop structures in TIM barrel motifs show a distinct pattern of conserved structural features.",
Proteins, vol. 12, issue 4, pp. 299-313, 1992 Apr.
"Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase.",
Proc Natl Acad Sci U S A, vol. 88, issue 23, pp. 10880-4, 1991 Dec 1.
"Prediction of protein backbone conformation based on seven structure assignments. Influence of local interactions.",
J Mol Biol, vol. 221, issue 3, pp. 961-79, 1991 Oct 5.
"SESAM: a relational database for structure and sequence of macromolecules.",
Proteins, vol. 11, issue 1, pp. 59-76, 1991.
"Basic design features of the parallel alpha beta barrel, a ubiquitous protein-folding motif.",
Biochem Soc Symp, vol. 57, pp. 99-121, 1990.