Vincent Zoete: search on Z-Library

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1

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

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2007

Language:

english

File:

PDF, 902 KB

english, 2007

2

iLOGP: A Simple, Robust, and Efficient Description of n -Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

Daina, Antoine, Michielin, Olivier, Zoete, Vincent

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 6.04 MB

english, 2014

3

On-the-Fly QM/MM Docking with Attracting Cavities

Chaskar, Prasad, Zoete, Vincent, Röhrig, Ute F.

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

4

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Daina, Antoine, Michielin, Olivier, Zoete, Vincent

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.25 MB

english, 2017

5

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

Daina, Antoine, Michielin, Olivier, Zoete, Vincent

Journal:

Nucleic Acids Research

Year:

2019

Language:

english

File:

PDF, 2.37 MB

english, 2019

6

Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function

Chaskar, Prasad, Zoete, Vincent, Röhrig, Ute F.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 4.04 MB

english, 2014

7

SwissSimilarity. A web tool for low to ultra high-throughput ligand-based virtual screening.

Zoete, Vincent, Daina, Antoine, Bovigny, Christophe, Michielin, Olivier

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 882 KB

english, 2016

8

Drug Design Workshop: A Web-Based Educational Tool To Introduce Computer-Aided Drug Design to the General Public

Daina, Antoine, Blatter, Marie-Claude, Baillie Gerritsen, Vivienne, Palagi, Patricia M., Marek, Diana, Xenarios, Ioannis, Schwede, Torsten, Michielin, Olivier, Zoete, Vincent

Journal:

Journal of Chemical Education

Year:

2017

Language:

english

File:

PDF, 7.63 MB

english, 2017

9

Exome sequencing identifies recurrent somatic MAP2K1 and MAP2K2 mutations in melanoma

Nikolaev, Sergey I, Rimoldi, Donata, Iseli, Christian, Valsesia, Armand, Robyr, Daniel, Gehrig, Corinne, Harshman, Keith, Guipponi, Michel, Bukach, Olesya, Zoete, Vincent, Michielin, Olivier, Muehleth

Journal:

Nature Genetics

Year:

2011

Language:

english

File:

PDF, 806 KB

english, 2011

10

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

Vincent Zoete, Aurelien Grosdidier, Olivier Michielin

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids

Year:

2007

Language:

english

File:

PDF, 2.03 MB

english, 2007

11

Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors

Röhrig, Ute F., Majjigapu, Somi Reddy, Vogel, Pierre, Zoete, Vincent, Michielin, Olivier

Journal:

Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 11.49 MB

english, 2015

12

Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

Fagerberg, Theres, Zoete, Vincent, Viatte, Sebastien, Baumgaertner, Petra, Alves, Pedro M., Romero, Pedro, Speiser, Daniel E., Michielin, Olivier, Taylor, Paul

Journal:

Year:

2013

Language:

english

File:

PDF, 2.08 MB

english, 2013

13

Going Beyond the Sequences: TCR Binding Patterns at the Service of Cancer Detection

Zoete, Vincent, Coukos, George

Journal:

Cancer Research

Year:

2019

File:

PDF, 188 KB

2019

14

Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b 214-222 by combinatorial peptide library screening

Bovay, Amandine, Zoete, Vincent, Rizkallah, Pierre J., Beck, Konrad, Delbreil, Philippe, Speiser, Daniel E., Cole, David K., Fuertes Marraco, Silvia A.

Journal:

Molecular Immunology

Year:

2020

File:

PDF, 1.58 MB

2020

15

Expanding molecular modeling and design tools to non-natural sidechains

David Gfeller, Olivier Michielin, Vincent Zoete

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.27 MB

english, 2012

16

Identification of human IKK-2 inhibitors of natural origin (Part II): In Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

Esther Sala, Laura Guasch, Justyna Iwaszkiewicz, Miquel Mulero, Maria-Josepa Salvadó, Cinta Bladé, Meritxell Ceballos, Cristina Valls, Vincent Zoete, Aurélien Grosdidier, Santiago Garcia-Vallvé, Olivi

Journal:

European Journal of Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 242 KB

english, 2011

17

Conformational Analysis of a Stereochemically Complete Set of Cis-enediol Peptide Analogues

Michielin, Olivier, Zoete, Vincent, Gierasch, Tiffany Malinky, Eckstein, Jens, Napper, Andrew, Verdine, Gregory, Karplus, Martin

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 512 KB

english, 2002

18

The conserved threonine-rich region of the HCF-1 PRO repeat activates promiscuous OGT:UDP-GlcNAc glycosylation and proteolysis activities

Kapuria, Vaibhav, Röhrig, Ute F, Waridel, Patrice, Lammers, Fabienne, Borodkin, Vladimir S., van Aalten, Daan M.F., Zoete, Vincent, Herr, Winship

Journal:

Journal of Biological Chemistry

Year:

2018

Language:

english

File:

PDF, 1.28 MB

english, 2018

19

Protonation Equilibria of Hoechst 33258 in Aqueous Solution

Manfred Ladinig, Werner Leupin, Markus Meuwly, Michal Respondek, Jakob Wirz, Vincent Zoete

Journal:

Helvetica Chimica Acta

Year:

2005

Language:

english

File:

PDF, 339 KB

english, 2005

20

Fast docking using the CHARMM force field with EADock DSS

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 565 KB

english, 2011

21

Defining and searching for structural motifs using DeepView/Swiss-PdbViewer

Maria U Johansson, Vincent Zoete, Olivier Michielin, Nicolas Guex

Journal:

BMC Bioinformatics

Year:

2012

Language:

english

File:

PDF, 1.22 MB

english, 2012

22

1,2,3-Triazoles as inhibitors of indoleamine 2,3-dioxygenase 2 (IDO2)

Röhrig, Ute F., Majjigapu, Somi Reddy, Caldelari, Daniela, Dilek, Nahzli, Reichenbach, Patrick, Ascencao, Kelly, Irving, Melita, Coukos, George, Vogel, Pierre, Zoete, Vincent, Michielin, Olivier

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.40 MB

english, 2016

23

4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to β-galactosidase mutations: Improved synthesis and biological investigations

Front, Sophie, Almeida, Sofia, Zoete, Vincent, Charollais-Thoenig, Julie, Gallienne, Estelle, Marmy, Céline, Pilloud, Vincent, Marti, Roger, Wood, Tim, Martin, Olivier R., Demotz, Stéphane

Journal:

Bioorganic & Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1014 KB

english, 2018

24

Molecular orbital theory applied to the study of nonsteroidal anti-inflammatory drug efficiency

Vincent Zoete, Fabrice Bailly, Francesca Maglia, Michel Rougée, René V. Bensasson

Journal:

Free Radical Biology and Medicine

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

25

Docking, virtual high throughput screening and in silico fragment-based drug design

Vincent Zoete, Aurélien Grosdidier, Olivier Michielin

Journal:

Journal of Cellular and Molecular Medicine

Year:

2009

Language:

english

File:

PDF, 8.63 MB

english, 2009

26

Electron affinity of tricyclic, bicyclic, and monocyclic compounds containing cyanoenones correlates with their potency as inducers of a cytoprotective enzyme

Bensasson, René V., Dinkova-Kostova, Albena T., Zheng, Suqing, Saito, Akira, Li, Wei, Zoete, Vincent, Honda, Tadashi

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 491 KB

english, 2016

27

Trametinib Induces the Stabilization of a Dual GNAQ p.Gly48Leu- and FGFR4 p.Cys172Gly-Mutated Uveal Melanoma. The Role of Molecular Modelling in Personalized Oncology

Krebs, Fanny S., GÃ©rard, Camille, Wicky, Alexandre, Aedo-Lopez, Veronica, Missiaglia, Edoardo, Bisig, Bettina, Trimech, Mounir, Michielin, Olivier, Homicsko, Krisztian, Zoete, Vincent

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 3.05 MB

2020

28

Inhibition of the shade avoidance response by formation of non-DNA binding bHLH heterodimers

Hornitschek, Patricia, Lorrain, Séverine, Zoete, Vincent, Michielin, Olivier, Fankhauser, Christian

Journal:

The EMBO Journal

Year:

2009

Language:

english

File:

PDF, 1.08 MB

english, 2009

29

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

Vincent Zoete, Markus Meuwly

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 576 KB

english, 2006

30

The Binding Mode of N -Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1)

Röhrig, Ute F., Zoete, Vincent, Michielin, Olivier

Journal:

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

31

T-Cell Receptors Binding Orientation over Peptide/MHC Class I Is Driven by Long-Range Interactions

Ferber, Mathias, Zoete, Vincent, Michielin, Olivier, Ranganathan, Shoba

Journal:

Year:

2012

Language:

english

File:

PDF, 2.84 MB

english, 2012

32

Potency ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index

René V. Bensasson, Vincent Zoete, Gaston Berthier, Paul Talalay, Albena T. Dinkova-Kostova

Journal:

Chemico-Biological Interactions

Year:

2010

Language:

english

File:

PDF, 666 KB

english, 2010

33

Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair

Zoete, Vincent, Meuwly, Markus

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.34 MB

english, 2004

34

Insulin: a model system for nanomedicine?

Koch, Manuela, Schmid, Franziska F-F, Zoete, Vincent, Meuwly, Markus

Journal:

Year:

2006

Language:

english

File:

PDF, 687 KB

english, 2006

35

Rational Design, Synthesis and Pharmacological Characterization of Novel Ghrelin Receptor Inverse Agonists as Potential Treatment against Obesity-related Metabolic Diseases

Daina, Antoine, giuliano, claudio, Pietra, Claudio, Wang, Junbo, Chi, Yushi, Zou, Zack, Li, Fugang, Yan, Zhonghua, Zhou, Yifan, Guainazzi, Angelo, Garcia Rubio, Silvina, Zoete, Vincent

Journal:

Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.94 MB

english, 2018

36

Docking to heme proteins

Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 780 KB

english, 2009

37

Antioxidant actions of ovothiol-derived 4-mercaptoimidazoles: glutathione peroxidase activity and protection against peroxynitrite-induced damage

Fabrice Bailly, Vincent Zoete, Joseph Vamecq, Jean-Pierre Catteau, Jean-Luc Bernier

Journal:

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

38

Proteolysis of HCF-1 by Ser/Thr glycosylation-incompetent O -GlcNAc transferase:UDP-GlcNAc complexes

Kapuria, Vaibhav, Röhrig, Ute F., Bhuiyan, Tanja, Borodkin, Vladimir S., van Aalten, Daan M.F., Zoete, Vincent, Herr, Winship

Journal:

Genes & Development

Year:

2016

Language:

english

File:

PDF, 1.14 MB

english, 2016

39

Herpes simplex encephalitis in adult patients with MASP-2 deficiency

Bibert, Stéphanie, Piret, Jocelyne, Quinodoz, Mathieu, Collinet, Emilie, Zoete, Vincent, Michielin, Olivier, Menasria, Rafik, Meylan, Pascal, Bihl, Titus, Erard, Véronique, Fellmann, Florence, Rivolta

Journal:

Year:

2019

Language:

english

File:

PDF, 5.46 MB

english, 2019

40

On the influence of semirigid environments on proton transfer along molecular chains

Zoete, Vincent, Meuwly, Markus

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 506 KB

english, 2004

41

Model Structure of Human APOBEC3G

Zhang, Kun-Lin, Mangeat, Bastien, Ortiz, Millan, Zoete, Vincent, Trono, Didier, Telenti, Amalio, Michielin, Olivier, Aballay, Alejandro

Journal:

Year:

2007

Language:

english

File:

PDF, 412 KB

english, 2007

42

T-cell repertoire analysis and metrics of diversity and clonality

Chiffelle, Johanna, Genolet, Raphael, Perez, Marta AS, Coukos, George, Zoete, Vincent, Harari, Alexandre

Journal:

Current Opinion in Biotechnology

Year:

2020

File:

PDF, 1.68 MB

2020

43

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

Vincent Zoete, Olivier Michielin

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2007

Language:

english

File:

PDF, 1.17 MB

english, 2007

44

Physicochemical properties of exogenous molecules correlated with their biological efficacy as protectors against carcinogenesis and inflammation

Bensasson, René V., Sowlati-Hashjin, Shahin, Zoete, Vincent, Dauzonne, Daniel, Matta, Chérif F.

Journal:

International Reviews in Physical Chemistry

Year:

2013

Language:

english

File:

PDF, 3.73 MB

english, 2013

45

The T-Cell Receptor Can Bind to the Peptide-Bound Major Histocompatibility Complex and Uncomplexed Beta-2 Microglobulin through Distinct Binding Sites

Merkle, Patrick Sascha, Irving, Melita, Hongjian, Song, Ferber, Mathias, Jørgensen, Thomas J.D., Scholten, Kirsten, Luescher, Immanuel Florian, Coukos, George, Zoete, Vincent, Cuendet, Michel A., Mich

Journal:

Year:

2017

Language:

english

File:

PDF, 1.52 MB

english, 2017

46

How T cell receptors interact with peptide-MHCs: A multiple steered molecular dynamics study

Michel A. Cuendet, Vincent Zoete, Olivier Michielin

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2011

Language:

english

File:

PDF, 1024 KB

english, 2011

47

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

Vincent Zoete, Markus Meuwly, Martin Karplus

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2005

Language:

english

File:

PDF, 331 KB

english, 2005

48

The Peroxisomal Enzyme L-PBE Is Required to Prevent the Dietary Toxicity of Medium-Chain Fatty Acids

Ding, Jun, Loizides-Mangold, Ursula, Rando, Gianpaolo, Zoete, Vincent, Michielin, Olivier, Reddy, Janardan K., Wahli, Walter, Riezman, Howard, Thorens, Bernard

Journal:

Year:

2013

Language:

english

File:

PDF, 2.97 MB

english, 2013

49

Monoubiquitination and Activity of the Paracaspase MALT1 Requires Glutamate 549 in the Dimerization Interface

Cabalzar, Katrin, Pelzer, Christiane, Wolf, Annette, Lenz, Georg, Iwaszkiewicz, Justyna, Zoete, Vincent, Hailfinger, Stephan, Thome, Margot, Cebecauer, Marek

Journal:

Year:

2013

Language:

english

File:

PDF, 2.39 MB

english, 2013

50

Application of the SwissDrugDesign Online Resources in Virtual Screening

Daina, Antoine, Zoete, Vincent

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 1.34 MB

english, 2019

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