22-26 Sep
18-23 May
18-20 Mar
8-10 Jan
20-22 Nov
17 Oct
3 Oct
26-28 Sep
20-22 Sep
17-20 Sep
10-15 Sep
16-21 Jul
GRC CADD
5-7 Jul
6-7 Jun
13-16 Jun
5-8 Jun
14-16 May
3-7 May
27 Apr
26-29 Mar
265th ACS National Meeting & Exposition + BAGIM Presentation
22 Mar
8 Feb
9 Jan
05-07 Oct
04-05 Oct
26-30 Sep
11-14 Sep
04-08 Sep
30-31 Aug
10 Aug
07-12 Aug
19-21 Jun
09-10 Jun
24-25 May
08-10 May
04-05 May
18-21 Apr
27-29 Mar
19-20 Oct
27-29 Sep
13-17 Sep
13-15 Sep
29 Aug – 2 Sep
Mar
Enric Herrero (Pharmacelera)
Feb
Javier Vázquez (Pharmacelera)
Sep
Optimizing the choice of 3D query structures in ligand-based virtual screenings with PharmScreen
Giorgia Zaetta (Pharmacelera)
May
Reliability of the IEFPCM-MST Continuum Solvation Model in the SAMPL Blind Challenge
F. J. Luque (Univ. of Barcelona)
Sep
Molecular property prediction with accurate hydrophobicity descriptors
F. J. Luque (Univ. of Barcelona)
Increasing chemical diversity using ligand-based virtual screening with PharmScreen
F. Martin (Pharmacelera), A. Deplano (Pharmacelera), E. Herrero (Pharmacelera)
Jul
From simple solvation models to applications in target druggability and screening of drug-like compounds
E. Herrero (Pharmacelera)
Nov
Assessing the Performance of Mixed Strategies To Combine Lipophilic Molecular Similarity and Docking in Virtual Screening
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), A. Herrero (Pharmacelera) E. Gibert (Pharmacelera), E. Herrero (Pharmacelera), F. J. Luque (Univ. of Barcelona)
Feb
Improving Virtual Screening by Combining Molecular Docking and Hydrophobic Profile Similarity
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), A. Herrero (Pharmacelera), E. Gibert (Pharmacelera), E. Herrero (Pharmacelera), F. J. Luque (Univ. of Barcelona)
Mar
On the Usage of Novel Hydrophobic Molecular Fields for CADD
A. Deplano (Pharmacelera), O. Rey (Pharmacelera), J. Vazquez (Pharmacelera), A. Herrero (Pharmacelera), E. Gibert (Pharmacelera), E. Herrero (Pharmacelera), J. Luque (Univ. of Barcelona)
Nov
Field-based virtual screening: New trends to increase the chemical diversity of your leads
A. Deplano (Pharmacelera), J. Vazquez (Pharmacelera), A. Herrero (Pharmacelera), E. Gibert (Pharmacelera), E. Herrero (Pharmacelera), J. Luque (Univ. of Barcelona)
Sep
On the use of (qm) ief/pcm-mst-derived hydrophobic contributions as physicochemicaldescriptors in 3d-qsar: the pharmqsar approach
O. Rey (Pharmacelera), T. Ginex (Univ. of Barcelona), J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), A. Herrero (Pharmacelera), E. Gibert (Pharmacelera), E. Herrero (Pharmacelera), J. Luque (Univ. of Barcelona)
Field-based virtual screening: New trends to increase the chemical diversity of your leads
A. Deplano (Pharmacelera)
Mar
Field-based virtual screening: New trends to increase the chemical diversity of your leads
A. Deplano (Pharmacelera), E. Herrero (Pharmacelera)
Hydrophobic similarity between molecules: Application to three-dimensional molecular overlays with PharmScreen
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), E. Herrero (Pharmacelera), E. Gibert (Pharmacelera), J. Luque (Univ. of Barcelona)
Hydrophobic similarity between molecules: Application to three-dimensional molecular overlays with PharmScreen
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), E. Herrero (Pharmacelera), E. Gibert (Pharmacelera), J. Luque (Univ. of Barcelona)
Jun
From continuum solvation models to hydrophobic descriptors: Application to virtual screening of chemical databases with PharmScreen
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), E. Herrero (Pharmacelera), E. Gibert (Pharmacelera), J. Luque (Univ. of Barcelona)
Oct
Conformation generation with RDKit: Comparative study and application reproducing bioactive overlays with PharmScreen
J. Vazquez (Pharmacelera), A. Deplano (Pharmacelera), E. Herrero (Pharmacelera), J. Luque (Univ. of Barcelona)
