G. Neudert

发表

Experimental and Computational Active Site Mapping as a Starting Point to Fragment‐Based Lead Discovery

G. Klebe, A. Heine, H. Köster, 2012, ChemMedChem.

DrugscoreMapsvisualizing similarities in protein-ligand interactions

G. Klebe, O. Koch, G. Neudert, 2009 .

Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries

Gerd Neudert, G. Neudert, 2012 .

β-Lactam derivatives as potential anti-cancer compounds

S. Gürtler, P. Bednarski, H. Otto, 2008 .

Lactam Derivatives as Potential Anticancer Compounds.

S. Guertler, P. Bednarski, H. Otto, 2008 .

DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes

Gerhard Klebe, Gerd Neudert, G. Klebe, 2011, J. Chem. Inf. Model..

TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysis

Rainer Merkl, André Fischer, Gerd Neudert, 2009, BMC Bioinformatics.

How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA‐Guanine Transglycosylase

Gerhard Klebe, Tina Ritschel, Gerd Neudert, 2009, ChemMedChem.

Fconv: Format Conversion, Manipulation and Feature Computation of Molecular Data

Gerhard Klebe, Gerd Neudert, G. Klebe, 2011, Bioinform..