Docking and scoring with alternative side-chain conformations.
Hartmann C, Antes I, Lengauer T, Proteins, 2009 Feb 15 - link
Flexible docking of ligands into synthetic receptors using a two-sided incremental construction algorithm.
Steffen A, Kamper A, Lengauer T, J Chem Inf Model, 2006 Jul-Aug - link
Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies.
Kamper A, Apostolakis J, Rarey M, Marian CM, Lengauer T, J Chem Inf Model, 2006 Mar-Apr - link
FlexE: efficient molecular docking considering protein structure variations.
Claussen H, Buning C, Rarey M, Lengauer T, J Mol Biol, 2001 Apr 27 - link
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking.
Kramer B, Rarey M, Lengauer T, Proteins, 1999 Nov 1 - link
Two-stage method for protein-ligand docking.
Hoffmann D, Kramer B, Washio T, Steinmetzer T, Rarey M, Lengauer T, J Med Chem, 1999 Oct 21 - link
The particle concept: placing discrete water molecules during protein-ligand docking predictions.
Rarey M, Kramer B, Lengauer T, Proteins, 1999 Jan 1 - link
Docking of hydrophobic ligands with interaction-based matching algorithms.
Rarey M, Kramer B, Lengauer T, Bioinformatics, 1999 Mar - link
Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.
Rarey M, Kramer B, Lengauer T, J Comput Aided Mol Des, 1997 Jul - link
CASP2 experiences with docking flexible ligands using FlexX.
Kramer B, Rarey M, Lengauer T, Proteins, 1997 - link
A fast flexible docking method using an incremental construction algorithm.
Rarey M, Kramer B, Lengauer T, Klebe G, J Mol Biol, 1996 Aug 23 - link
Computational methods for biomolecular docking.
Lengauer T, Rarey M, Curr Opin Struct Biol, 1996 Jun - link
Time-efficient docking of flexible ligands into active sites of proteins.
Rarey M, Kramer B, Lengauer T, Proc Int Conf Intell Syst Mol Biol, 1995 - link