Zoete V - Search Results

1

SwissParam: a fast force field generation tool for small organic molecules.

Zoete V, Cuendet MA, Grosdidier A, Michielin O. Zoete V, et al. J Comput Chem. 2011 Aug;32(11):2359-68. doi: 10.1002/jcc.21816. Epub 2011 May 3. J Comput Chem. 2011. PMID: 21541964

2

Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility.

Zoete V, Michielin O, Karplus M. Zoete V, et al. J Mol Biol. 2002 Jan 4;315(1):21-52. doi: 10.1006/jmbi.2001.5173. J Mol Biol. 2002. PMID: 11771964

3

Conformational analysis of a stereochemically complete set of cis-enediol peptide analogues.

Michielin O, Zoete V, Gierasch TM, Eckstein J, Napper A, Verdine G, Karplus M. Michielin O, et al. Among authors: zoete v. J Am Chem Soc. 2002 Sep 18;124(37):11131-41. doi: 10.1021/ja012695p. J Am Chem Soc. 2002. PMID: 12224961

4

Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors.

Zoete V, Michielin O, Karplus M. Zoete V, et al. J Comput Aided Mol Des. 2003 Dec;17(12):861-80. doi: 10.1023/b:jcam.0000021882.99270.4c. J Comput Aided Mol Des. 2003. PMID: 15124934

5

Structural assessment of single amino acid mutations: application to TP53 function.

Yip YL, Zoete V, Scheib H, Michielin O. Yip YL, et al. Among authors: zoete v. Hum Mutat. 2006 Sep;27(9):926-37. doi: 10.1002/humu.20379. Hum Mutat. 2006. PMID: 16917930

6

Importance of individual side chains for the stability of a protein fold: computational alanine scanning of the insulin monomer.

Zoete V, Meuwly M. Zoete V, et al. J Comput Chem. 2006 Nov 30;27(15):1843-57. doi: 10.1002/jcc.20512. J Comput Chem. 2006. PMID: 16981237

7

Combined simulation and mutagenesis analyses reveal the involvement of key residues for peroxisome proliferator-activated receptor alpha helix 12 dynamic behavior.

Michalik L, Zoete V, Krey G, Grosdidier A, Gelman L, Chodanowski P, Feige JN, Desvergne B, Wahli W, Michielin O. Michalik L, et al. Among authors: zoete v. J Biol Chem. 2007 Mar 30;282(13):9666-9677. doi: 10.1074/jbc.M610523200. Epub 2007 Jan 2. J Biol Chem. 2007. PMID: 17200111 Free article.

8

Peroxisome proliferator-activated receptor structures: ligand specificity, molecular switch and interactions with regulators.

Zoete V, Grosdidier A, Michielin O. Zoete V, et al. Biochim Biophys Acta. 2007 Aug;1771(8):915-25. doi: 10.1016/j.bbalip.2007.01.007. Epub 2007 Jan 18. Biochim Biophys Acta. 2007. PMID: 17317294 Review.

9

Comparison between computational alanine scanning and per-residue binding free energy decomposition for protein-protein association using MM-GBSA: application to the TCR-p-MHC complex.

Zoete V, Michielin O. Zoete V, et al. Proteins. 2007 Jun 1;67(4):1026-47. doi: 10.1002/prot.21395. Proteins. 2007. PMID: 17377991

10

EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.

Grosdidier A, Zoete V, Michielin O. Grosdidier A, et al. Among authors: zoete v. Proteins. 2007 Jun 1;67(4):1010-25. doi: 10.1002/prot.21367. Proteins. 2007. PMID: 17380512

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