Development and application of ligand-based computational methods for de-novo drug design and virtual screening

Ligand-based computational drug discovery (LB-CADD) methods have been used widely over the last several decades to aid medicinal chemistry campaigns via virtual high-throughput screening (vHTS) and de-novo molecular design. A new de-novo drug design algorithm, BCL::EvoGen, based on a stochastic sear...

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Bibliographic Details
Main Author: Geanes, Alexander Richard
Other Authors: Jens Meiler
Format: Others
Language:en
Published: VANDERBILT 2016
Subjects:
Online Access:http://etd.library.vanderbilt.edu/available/etd-11172016-133216/