Search Results - "Neudert, Gerd" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

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

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

by Neudert, Gerd, Klebe, Gerhard
Published in Journal of chemical information and modeling (24.10.2011)

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Journal Article

fconv: format conversion, manipulation and feature computation of molecular data

fconv: format conversion, manipulation and feature computation of molecular data

by NEUDERT, Gerd, KLEBE, Gerhard
Published in Bioinformatics (01.04.2011)

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Journal Article

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

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

by Fischer, André, Enkler, Nils, Neudert, Gerd, Bocola, Marco, Sterner, Reinhard, Merkl, Rainer
Published in BMC bioinformatics (10.02.2009)

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Journal Article

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

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

by Behnen, Jürgen, Köster, Helene, Neudert, Gerd, Craan, Tobias, Heine, Andreas, Klebe, Gerhard
Published in ChemMedChem (06.02.2012)

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Journal Article

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

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

by Ritschel, Tina, Kohler, Philipp C., Neudert, Gerd, Heine, Andreas, Diederich, François, Klebe, Gerhard
Published in ChemMedChem (07.12.2009)

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Journal Article

β-Lactam derivatives as potential anti-cancer compounds

β-Lactam derivatives as potential anti-cancer compounds

by Ruf, Sabine, Neudert, Gerd, Gürtler, Susanne, Grünert, Renate, Bednarski, Patrick J., Otto, Hans-Hartwig
Published in Monatshefte für Chemie (01.07.2008)

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Journal Article

DrugScoreFP: profiling protein-ligand interactions using fingerprint simplicity paired with knowledge-based potential fields

DrugScoreFP: profiling protein-ligand interactions using fingerprint simplicity paired with knowledge-based potential fields

by Pfeffer, Patrick, Neudert, Gerd, Klebe, Gerhard
Published in Chemistry Central journal (26.03.2008)

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Journal Article

ChemInform Abstract: β-Lactam Derivatives as Potential Anticancer Compounds

ChemInform Abstract: β-Lactam Derivatives as Potential Anticancer Compounds

by Ruf, Sabine, Neudert, Gerd, Guertler, Susanne, Gruenert, Renate, Bednarski, Patrick J., Otto, Hans-Hartwig
Published in ChemInform (07.10.2008)

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Journal Article