Improving drug discovery using hybrid softcomputing methods

H Pérez-Sánchez, G Cano, J García-Rodríguez - Applied Soft Computing, 2014 - Elsevier
Virtual screening (VS) methods can considerably aid clinical research, predicting how
ligands interact with drug targets. Most VS methods suppose a unique binding site for the …

Chemoinformatics approach for the design and screening of focused virtual libraries

M Karthikeyan, R Vyas, M Karthikeyan… - Practical Chemoinformatics, 2014 - Springer
It is challenging to handle a large volume of molecular data without appropriate tools. Here,
we describe the need and the approaches for the development of focussed virtual libraries …

[PDF][PDF] Estimación del punto isoeléctrico de péptidos empleando descriptores moleculares y máquinas de soporte vectorial

EA Martínez - 2014 - pfigshare-u-files.s3.amazonaws.com
El fraccionamiento de mezclas de péptidos utilizando geles con gradiente de pH
inmovilizado se utiliza con frecuencia como el primer paso de separación en experimentos …