Crystal structure prediction of flexible pharmaceutical-like molecules: density functional tight-binding as an intermediate optimisation method and for free energy estimation. (2018)
Attributed to:
Computationally Designed Templates for Exquisite Control of Polymorphic Form
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1039/c8fd00010g
PubMed Identifier: 30035288
Publication URI: http://europepmc.org/abstract/MED/30035288
Type: Journal Article/Review
Volume: 211
Parent Publication: Faraday discussions
ISSN: 1359-6640