Hans Matter

发表

Quantum Mechanics-Based Properties for 3D-QSAR

Timothy Clark, Stefan Güssregen, Ahmed El Kerdawy, 2013, J. Chem. Inf. Model..

Quantum-mechanics-based molecular interaction fields for 3D-QSAR

Timothy Clark, Stefan Güssregen, Ahmed El Kerdawy, 2014, Journal of Cheminformatics.

SFCscore: Scoring functions for affinity prediction of protein–ligand complexes

Gerhard Klebe, Christoph A Sotriffer, Hans Matter, 2008, Proteins.

3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions

Timothy Clark, Stefan Güssregen, Gerhard Hessler, 2012, J. Chem. Inf. Model..

Design and Diversity Analysis of Compound Libraries for Lead Discovery

Matthias Rarey, Hans Matter, H. Matter, 1999 .

Applications and Success Stories in Virtual Screening

Christoph A. Sotriffer, Hans Matter, H. Matter, 2011 .

Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets

Hans Matter, Thorsten Pötter, H. Matter, 1999, J. Chem. Inf. Comput. Sci..

Computational approaches towards the quantification of molecular diversity and design of compound libraries.

Hans Matter, H. Matter, 2003, EXS.

The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening

Christoph A. Sotriffer, Hans Matter, H. Matter, 2011 .

Algorithmic Engines in Virtual Screening

Matthias Rarey, Christian Lemmen, Hans Matter, 2005 .

Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets

K. Friedemann Schmidt, Hans Matter, Jan Wenzel, 2019, J. Chem. Inf. Model..

Matrix metalloproteinase target family landscape: a chemometrical approach to ligand selectivity based on protein binding site analysis.

Hans Matter, Bernard Pirard, H. Matter, 2006, Journal of medicinal chemistry.

Predictive in silico off-target profiling in drug discovery.

Gerhard Hessler, Hans Matter, Andreas Czich, 2014, Future medicinal chemistry.

Efficient Strategies for Lead Optimization by Simultaneously Addressing Affinity, Selectivity and Pharmacokinetic Parameters

Karl-Heinz Baringhaus, Hans Matter, 2008 .

Biology and chemistry of the inhibition of nitric oxide synthases by pteridine‐derivatives as therapeutic agents

Hans Matter, H. Matter, Peter Kotsonis, 2004, Medicinal research reviews.

Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.

Andreas Evers, Gerhard Hessler, Hans Matter, 2005, Journal of medicinal chemistry.

Fragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexes.

Hans Matter, Armin Bauer, Marc Nazaré, 2012, Angewandte Chemie.

Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography.

Hans Matter, Volker Laux, Armin Bauer, 2005, Journal of medicinal chemistry.

Structural requirements for inhibition of the neuronal nitric oxide synthase (NOS-I): 3D-QSAR analysis of 4-oxo- and 4-amino-pteridine-based inhibitors.

Hans Matter, Wolfgang Pfleiderer, H. Matter, 2002, Journal of medicinal chemistry.

CROSS: an efficient workflow for reaction-driven rescaffolding and side-chain optimization using robust chemical reactions and available reagents.

Andreas Evers, Peter Monecke, Gerhard Hessler, 2013, Journal of medicinal chemistry.

Computational Medicinal Chemistry for Drug Discovery

Hans Matter, H. Matter, 2004 .

Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.

Stefan Güssregen, Hans Matter, Armin Bauer, 2009, Angewandte Chemie.

Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.

Hans Matter, H. Matter, B. Scheiper, 2010, Bioorganic & medicinal chemistry letters.

Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions.

Hans Matter, Volker Laux, Marc Nazaré, 2005, Journal of medicinal chemistry.

Recent advances in the design of matrix metalloprotease inhibitors.

Hans Matter, H. Matter, Manfred Schudok, 2004, Current opinion in drug discovery & development.

Multiple-ligand-based virtual screening: methods and applications of the MTree approach.

Thomas Lengauer, Matthias Rarey, Marc Zimmermann, 2005, Journal of medicinal chemistry.

Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.

Hans Matter, Fahad Al-Obeidi, Armin Walser, 2002, Journal of medicinal chemistry.

Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds.

Hans Matter, H. Matter, B. Scheiper, 2011, Bioorganic & medicinal chemistry letters.

Structural analysis of isoform-specific inhibitors targeting the tetrahydrobiopterin binding site of human nitric oxide synthases.

Roman Fedorov, Hans Matter, Elisabeth Hartmann, 2005, Journal of medicinal chemistry.

Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization

Stefan Güssregen, Gerhard Hessler, Karl-Heinz Baringhaus, 2011, Molecular informatics.

Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.

Hans Matter, H. Matter, B. Scheiper, 2011, Bioorganic & medicinal chemistry letters.

Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series

Stefan Güssregen, Gerhard Hessler, Jochen Heil, 2017, J. Chem. Inf. Model..