Zoete V - Search Results

1

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

2

Both APRIL and antibody-fragment-based CAR T cells for myeloma induce BCMA downmodulation by trogocytosis and internalization.

Camviel N, Wolf B, Croce G, Gfeller D, Zoete V, Arber C. Camviel N, et al. Among authors: zoete v. J Immunother Cancer. 2022 Nov;10(11):e005091. doi: 10.1136/jitc-2022-005091. J Immunother Cancer. 2022. PMID: 36323436 Free PMC article.

3

Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking.

Röhrig UF, Goullieux M, Bugnon M, Zoete V. Röhrig UF, et al. Among authors: zoete v. J Chem Inf Model. 2023 Jun 26;63(12):3925-3940. doi: 10.1021/acs.jcim.3c00054. Epub 2023 Jun 7. J Chem Inf Model. 2023. PMID: 37285197 Free PMC article.

Our docking algorithm Attracting Cavities (AC) has been shown to compare favorably to other widely used docking algorithms [Zoete, V.; et al. J. Comput. Chem. 2016, 37, 437]. Here we describe several improvements of AC, making the sampling more robust and providing …

Our docking algorithm Attracting Cavities (AC) has been shown to compare favorably to other widely used docking algorithms [Zoete, …

4

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

5

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

6

Investigation of glucose binding sites on insulin.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. Proteins. 2004 May 15;55(3):568-81. doi: 10.1002/prot.20071. Proteins. 2004. PMID: 15103621

7

A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. J Mol Biol. 2004 Sep 17;342(3):913-29. doi: 10.1016/j.jmb.2004.07.033. J Mol Biol. 2004. PMID: 15342246

8

Design, synthesis, and biological evaluation of HSP90 inhibitors based on conformational analysis of radicicol and its analogues.

Moulin E, Zoete V, Barluenga S, Karplus M, Winssinger N. Moulin E, et al. Among authors: zoete v. J Am Chem Soc. 2005 May 18;127(19):6999-7004. doi: 10.1021/ja043101w. J Am Chem Soc. 2005. PMID: 15884943

9

Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. Proteins. 2005 Oct 1;61(1):79-93. doi: 10.1002/prot.20528. Proteins. 2005. PMID: 16080143

10

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

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