BioSolveIT GmbH - tips & tricks

In this section we focus – in no particular order – on aspects of our software that are frequently misunderstood but nevertheless are quite important.

	ReCore in LeadIT – indexing
	LeadIT – the basics
	ReCore – fragment growing
	ReCore – fragment merging
	the new FlexX Release 3 – part 2: pharmacophore definition
	the new FlexX Release 3 – part 1: protein preparation
	docking with molecular template superposition
	ring conformer generation and stereo centers
	protein-ligand clashes
	planar amides
	shell escape
	gaussian filters
	directional pharm contraints
	covalent docking
	The deepsite option
	protonation
	ligand charges
	delocalisation

Last modified Friday, 03. Feb 2012 15:15 CET by WebMaster