Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579

langue originale	Anglais
titre	Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society
Etat de la publication	Publié - avr. 2019

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• 2019_VercauterenLeherte_abstractVersion finale publiée, 588 KB

Résultat de recherche

Résultat de recherche par an 2018 2018 2021 2021

• 2 Article

Résultat de recherche par an

Résultat de recherche par an

• Structure-Based Identification of Inhibitors Disrupting the CD2-CD58 Interactions

  Tripathi, N., Leherte, L., Vercauteren, D. & Laurent, A. D., mars 2021, Dans: Journal of computer-aided molecular design. 35, 3, p. 337-353 17 p.

  Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

  Accès ouvert

  File

  • Antigen-Presenting Cells 100%
  • T-cells 75%
  • disrupting 71%
  • inhibitors 58%
  • Molecular dynamics 56%
  28 Téléchargements (Pure)

• Investigating Cyclic Peptides Inhibiting CD2-CD58 Interactions through Molecular Dynamics and Molecular Docking Methods

  Leherte, L., Petit, A., Jacquemin, D., Vercauteren, D. & Adèle, L., 1 nov. 2018, Dans: Journal of computer-aided molecular design. 32, 11, p. 1295-1313 19 p.

  Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

  Accès ouvert

  File

  • Cyclic Peptides 100%
  • Ligands 64%
  • Cyclic Peptide 57%
  • Molecular dynamics 54%
  • Molecular Dynamics Simulation 54%
  9 Téléchargements (Pure)

Projets

Projets par an 2018 2018 2022

• 2 Terminé

Projets par an

• DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease

  Leherte, L., Laurent, A. D., Vercauteren, D. & Jacquemin, D.

  1/01/18 → 31/12/19

  Projet: Recherche

  • Molecular dynamics 100%
  • Molecular Dynamics 98%
  • Antigen-Presenting Cells 97%
  • Cyclic Peptides 91%
  • Ligands 88%

• CÉCI – Consortium des Équipements de Calcul Intensif

  CHAMPAGNE, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.

  1/01/18 → 31/12/22

  Projet: Recherche

  • Density Functional Theory 99%
  • Optical properties 86%
  • density functional theory 85%
  • Hyperpolarizability 83%
  • Derivatives 80%

Équipement

• Plateforme Technologique Calcul Intensif

  Benoît Champagne (!!Manager)

  Plateforme technologique Calcul intensif

  Equipement/installations: Plateforme technolgique

  • Hyperpolarizability 100%
  • Molecules 47%
  • Simulation 46%
  • Optical properties 43%
  • Graphene 40%

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Vercauteren, D., Leherte, L., Laurent, A., & Jacquemin, D. (2019). Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579. Dans Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society

Vercauteren, Daniel ; Leherte, Laurence ; Laurent, Adèle et al. / Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579. Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society. 2019.

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title = "Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579",

author = "Daniel Vercauteren and Laurence Leherte and Ad{\`e}le Laurent and Denis Jacquemin",

year = "2019",

month = apr,

language = "English",

booktitle = "Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society",

}

Vercauteren, D, Leherte, L, Laurent, A & Jacquemin, D 2019, Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579. Dans Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society.

Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579. / Vercauteren, Daniel; Leherte, Laurence; Laurent, Adèle et al.

Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society. 2019.

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférence › Article dans les actes d'une conférence/un colloque

TY - GEN

T1 - Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579

AU - Vercauteren, Daniel

AU - Leherte, Laurence

AU - Laurent, Adèle

AU - Jacquemin, Denis

PY - 2019/4

Y1 - 2019/4

M3 - Conference contribution

BT - Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society

ER -

Vercauteren D, Leherte L, Laurent A, Jacquemin D. Investigation of Cyclic Ligand Inhibiting CD2-CD58 Interactions Using Molecular Dynamics and Molecular Docking Approaches - COMP579. Dans Abstracts of the 2557th Annual Meeting and Exposition of the American Chemical Society. 2019