User profiles for P. Ballester

Pablo Ballester

- Verified email at iciq.es - Cited by 14923

Pedro Ballester

- Verified email at imperial.ac.uk - Cited by 6074

Pedro L. Ballester

- Verified email at sickkids.ca - Cited by 1360

Supramolecular catalysis. Part 2: artificial enzyme mimics

M Raynal, P Ballester, A Vidal-Ferran… - Chemical Society …, 2014 - pubs.rsc.org
… Proposed transition state for the reaction between acetone and p-nitrobenzaldehyde showing
a hydrogen bond between the cyclohexylammonium and the bound p-nitrobenzaldehyde. (…

Supramolecular catalysis. Part 1: non-covalent interactions as a tool for building and modifying homogeneous catalysts

M Raynal, P Ballester, A Vidal-Ferran… - Chemical Society …, 2014 - pubs.rsc.org
Supramolecular catalysis is a rapidly expanding discipline which has benefited from the
development of both homogeneous catalysis and supramolecular chemistry. The properties of …

Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening

…, FD Roessler, PJ Ballester - Wiley Interdisciplinary …, 2015 - Wiley Online Library
… On a posterior study, Ballester60 introduced SVR-Score which trained using the same data,
features, and protocol as RF-Score.18 On the other hand, Li et al.61 also used SVR as the …

Anion-pi Interactions: do they exist?

…, C Garau, C Rotger, A Frontera, P Ballester… - … , vol. 41, num. 18, p …, 2002 - dspace.uib.es
[eng] Hovering above the π‐electron cloud, an anion positioned over hexafluorobenzene
along the C6 axis as shown here interacts with the permanent quadrupole of the arene. …

[HTML][HTML] Molecfit: A general tool for telluric absorption correction-I. Method and application to ESO instruments

…, AM Jones, A Gallenne, J Vinther, P Ballester… - Astronomy & …, 2015 - aanda.org
Context. The interaction of the light from astronomical objects with the constituents of the
Earth’s atmosphere leads to the formation of telluric absorption lines in ground-based collected …

A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

PJ Ballester, JBO Mitchell - Bioinformatics, 2010 - academic.oup.com
… where I p OOB comprises the indices of those complexes that were not used for training the
p-th regression tree and |I p OOB | is the cardinal of such set. Possible m try values cover all …

[HTML][HTML] Automated data reduction workflows for astronomy-The ESO Reflex environment

…, M Romaniello, DM Bramich, P Ballester… - Astronomy & …, 2013 - aanda.org
Context. Data from complex modern astronomical instruments often consist of a large number
of different science and calibration files, and their reduction requires a variety of software …

[HTML][HTML] Machine learning prediction of cancer cell sensitivity to drugs based on genomic and chemical properties

…, M Garnett, U McDermott, CH Benes, PJ Ballester… - PLoS one, 2013 - journals.plos.org
Predicting the response of a specific cancer to a therapy is a major goal in modern oncology
that should ultimately lead to a personalised treatment. High-throughput screenings of …

Self-replicating system

T Tjivikua, P Ballester, J Rebek Jr - Journal of the American …, 1990 - ACS Publications
… logical concentration of P-enolpyruvate in whole rat kidney, as in other mammalian tissues,
is approximately 5 X 10~5 M.11 2Thus, the physiological concentration of P-enolpyruvate is …

CRIRES: a high-resolution infrared spectrograph for ESO's VLT

HU Kaeufl, P Ballester, P Biereichel, B Delabre… - Proceedings of …, 2004 - Springer
CRIRES, a pre-dispersed CRyogenic Infrared Echelle Spectrograph, provides a resolving
power λ/∆ λ≈ 10 5 (or∆ v≈ 1. 5km s per pixel) between 1000 and 5000 nm at the 8m ESO VLT…