E-LIB Suche - Ergebnisse für: Fontaine, Fabien

1

Metabolite identification using an ion mobility enhanced da..:

Radchenko, Tatiana ; Kochansky, Christopher J. ; Cancilla, Mark...
Rapid Communications in Mass Spectrometry. 34 (2020) 12 - p. , 2020

Link: https://doi.org/10.1002/..

2

Software-aided workflow for predicting protease-specific cl..:

Radchenko, Tatiana ; Fontaine, Fabien ; Morettoni, Luca..
PLOS ONE. 14 (2019) 1 - p. e0199270 , 2019

Link: https://doi.org/10.1371/..

3

Correction: Software-aided approach to investigate peptide ..:

Radchenko, Tatiana ; Brink, Andreas ; Siegrist, Yves...
PLOS ONE. 13 (2018) 7 - p. e0200772 , 2018

Link: https://doi.org/10.1371/..

4

Enabling Efficient Late‐Stage Functionalization of Drug‐Lik..:

Yao, Huifang ; Liu, Yong ; Tyagarajan, Sriram...
European Journal of Organic Chemistry. 2017 (2017) 47 - p. 7122-7126 , 2017

Link: https://doi.org/10.1002/..

5

Software-aided approach to investigate peptide structure an..:

Radchenko, Tatiana ; Brink, Andreas ; Siegrist, Yves...
PLOS ONE. 12 (2017) 11 - p. e0186461 , 2017

Link: https://doi.org/10.1371/..

6

Software-aided cytochrome P450 reaction phenotyping and kin..:

Cece-Esencan, Esra Nurten ; Fontaine, Fabien ; Plasencia, Guillem...
Rapid Communications in Mass Spectrometry. 30 (2015) 2 - p. 301-310 , 2015

Link: https://doi.org/10.1002/..

7

Post-acquisition analysis of untargeted accurate mass quadr..:

Brink, Andreas ; Fontaine, Fabien ; Marschmann, Michaela...
Rapid Communications in Mass Spectrometry. 28 (2014) 24 - p. 2695-2703 , 2014

Link: https://doi.org/10.1002/..

8

High-throughput, computer assisted, specific MetID. A revol..:

Zamora, Ismael ; Fontaine, Fabien ; Serra, Blanca.
Drug Discovery Today: Technologies. 10 (2013) 1 - p. e199-e205 , 2013

Link: https://doi.org/10.1016/..

9

Enhanced metabolite identification with MSE and a semi-auto..:

Bonn, Britta ; Leandersson, Carina ; Fontaine, Fabien.
Rapid Communications in Mass Spectrometry. 24 (2010) 21 - p. 3127-3138 , 2010

Link: https://doi.org/10.1002/..

10

SHOP: A Method For Structure‐Based Fragment and Scaffold Ho..:

Fontaine, Fabien ; Cross, Simon ; Plasencia, Guillem..
ChemMedChem. 4 (2009) 3 - p. 427-439 , 2009

Link: https://doi.org/10.1002/..

11

Fast 3D shape screening of large chemical databases through..:

Fontaine, Fabien ; Bolton, Evan ; Borodina, Yulia.
Chemistry Central Journal. 1 (2007) 1 - p. , 2007

Link: https://doi.org/10.1186/..

12

Assessment of Conformational Ensemble Sizes Necessary for S..:

Borodina, Yulia V. ; Bolton, Evan ; Fontaine, Fabien.
Journal of Chemical Information and Modeling. 47 (2007) 4 - p. 1428-1437 , 2007

Link: https://doi.org/10.1021/..

13

Anchor−GRIND: Filling the Gap between Standard 3D QSAR and..:

Fontaine, Fabien ; Pastor, Manuel ; Zamora, Ismael.
Journal of Medicinal Chemistry. 48 (2005) 7 - p. 2687-2694 , 2005

Link: https://doi.org/10.1021/..

14

Incorporating Molecular Shape into the Alignment-free GRid-..:

Fontaine, Fabien ; Pastor, Manuel ; Sanz, Ferran
Journal of Medicinal Chemistry. 47 (2004) 11 - p. 2805-2815 , 2004

Link: https://doi.org/10.1021/..

15

Use of alignment-free molecular descriptors in diversity an..:

Fontaine, Fabien ; Pastor, Manuel ; Gutiérrez-de-Terán, Hugo..
Molecular Diversity. 6 (2000) 2 - p. 135-147 , 2000

Link: https://doi.org/10.1023/..