Sentence examples for modeling and chemoinformatics from inspiring English sources

Atomic charges are extensively used in many molecular modeling and chemoinformatics applications.

Several standard molecular representations in ASCII format which are easily readable by molecular modeling and chemoinformatics software packages are available.

Despite the growing diversity of available modeling and chemoinformatics tools, there are few software tools specifically dedicated to the management and the analysis of screening libraries.

In this chapter, we review the progress on the developments of in silico approaches that are at the interface between molecular modeling and chemoinformatics.

This presentation will describe how structural biology, molecular pharmacology, and medicinal chemistry studies can be combined with molecular modeling and chemoinformatics analyses for a more accurate description and prediction of structural determinants of protein-ligand binding, functional activity, and selectivity.

Herein, we discuss recent progress on the identification and development of inhibitors of DNMTs as potential epi-drugs and epi-probes that have been driven by molecular modeling and chemoinformatics methods.

He joined Vertex as a Founding Scientist in 1990 and started the company's molecular modeling, bioinformatics, IS and chemoinformatics groups.

Bioclipse [28] for example, is a general purpose modeling software that combines bioinformatics and chemoinformatics functionalities in a modular and extensible workbench.

RFs have been applied in chemoinformatics to QSAR/QSPR modeling, and molecular classification problems [42 44].

S-Adenosyl-l-methionine synthetase was also used to elucidate chemoinformatics approaches like homology modeling and docking, which represent appropriate methods for generating valuable data for the development of new drug candidates.

A modern concept for the development of novel antiparasitic drugs is the combination of bioinformatics and chemoinformatics approaches.