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 Saturday, 24. Jul 2010 00:03 CEST by WebMaster