Fabien Fontaine

发表

Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors.

F. Sanz, M. Pastor, I. Zamora, 2005 .

SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping

Ismael Zamora, Manuel Pastor, Simon Cross, 2009, ChemMedChem.

Metabolite Identification Using An Ion Mobility-Enhanced Data-Independent Acquisition Strategy and Automated Data Processing.

R. Mortishire-Smith, I. Zamora, M. Wrona, 2020, Rapid communications in mass spectrometry : RCM.

Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries

F. Sanz, H. Gutiérrez‐de‐Terán, M. Pastor, 2004, Molecular Diversity.

Software-aided workflow for predicting protease-specific cleavage sites using physicochemical properties of the natural and unnatural amino acids in peptide-based drug discovery

I. Zamora, Fabien Fontaine, T. Radchenko, 2018, bioRxiv.

Software-aided workflow for predicting protease-specific cleavage sites using physicochemical properties of the natural and unnatural amino acids in peptide-based drug discovery: Peptide cleavage sites prediction workflow

I. Zamora, Fabien Fontaine, T. Radchenko, 2018, bioRxiv.

Development and applications of new 3D molecular descriptors

Fabien Fontaine, 2005 .

High-throughput, computer assisted, specific MetID. A revolution for drug discovery.

I. Zamora, Fabien Fontaine, G. Plasencia, 2013, Drug discovery today. Technologies.

Software-aided approach to investigate peptide structure and metabolic susceptibility of amide bonds in peptide drugs based on high resolution mass spectrometry

I. Zamora, Fabien Fontaine, T. Radchenko, 2017, PloS one.

Enabling Efficient Late‐Stage Functionalization of Drug‐Like Molecules with LC‐MS and Reaction‐Driven Data Processing

Shane W. Krska, L. Goracci, I. Zamora, 2017 .

Post-acquisition analysis of untargeted accurate mass quadrupole time-of-flight MS(E) data for multiple collision-induced neutral losses and fragment ions of glutathione conjugates.

I. Zamora, Fabien Fontaine, A. Pähler, 2014, Rapid communications in mass spectrometry : RCM.

Software-aided cytochrome P450 reaction phenotyping and kinetic analysis in early drug discovery.

I. Zamora, Fabien Fontaine, A. Pähler, 2016, Rapid communications in mass spectrometry : RCM.

Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation.

Ismael Zamora, I. Zamora, Fabien Fontaine, 2010, Rapid communications in mass spectrometry : RCM.

Incorporating molecular shape into the alignment-free Grid-Independent Descriptors.

Ferran Sanz, Manuel Pastor, F. Sanz, 2004, Journal of medicinal chemistry.

Fast 3D shape screening of large chemical databases through alignment-recycling

Evan Bolton, Fabien Fontaine, Evan E. Bolton, 2007, Chemistry Central journal.

Conformationally constrained butyrophenones as new pharmacological tools to study 5-HT 2A and 5-HT 2C receptor behaviours.

F. Sanz, M. Loza, J. Brea, 2003, European journal of medicinal chemistry.

Enhancing Throughput of Glutathione Adduct Formation Studies and Structural Identification Using a Software-Assisted Workflow Based on High-Resolution Mass Spectrometry (HRMS) Data

I. Zamora, Fabien Fontaine, A. Pähler, 2016 .

WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source

Tatiana Radchenko, Fabien Fontaine, Luca Morettoni, 2018, Bioinform..

Assessment of Conformational Ensemble Sizes Necessary for Specific Resolutions of Coverage of Conformational Space

Evan Bolton, Fabien Fontaine, Stephen H. Bryant, 2007, J. Chem. Inf. Model..