Klaus R. Liedl

Dr. Julian E. Fuchs


Theoretical Chemistry
Faculty of Chemistry and Pharmacy
Center for Molecular Biosciences
Leopold-Franzens-University Innsbruck
Julian E. Fuchs


Innrain 82, A-6020 Innsbruck, Austria


Flexibility & Specificity of Biomolecular Interfaces

Proteolysis & Protein Stability

Dynamics in Molecular Recognition Events

Molecular Interactions & Structure-based Drug Design


Structural Bioinformatics

Simulation Techniques



Google Scholar Page

>50 peer-reviewed publications

Key Publications

"Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin", PLoS One 2015, 10(10), e0140713

"Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications", J Chem Inf Model 2015, 55(11), 2315-2323

"Independent Metrics for Protein Backbone and Side-chain Flexibility: Time Scales and Effects of Ligand Binding", J Chem Theory Comput 2015, 11(3), 851-860

"Intrinsic Flexibility of NLRP Pyrin Domains is a Key Factor in their Conformational Dynamics, Fold Stability and Dimerization", Protein Sci 2015, 24(2), 174-181

"Specificity of a Protein-Protein Interface: Local Dynamics Direct Substrate Recognition of Effector Caspases", Proteins 2014, 82(4), 546-555

"Substrate-Driven Mapping of the Degradome by Comparison of Sequence Logos", PLoS Comput Biol 2013, 9(11), e1003353

"Cleavage Entropy as a Quantitative Measure of Protease Specificity", PLoS Comput Biol 2013, 9(4), e1003007

"Dynamic Regulation of Phenylalanine Hydroxylase by Simulated Redox Manipulation", PLoS ONE 2012, 7(12), e53005

"Rationalizing Tight Ligand Binding Through Cooperative Interaction Networks", J Chem Inf Model 2011, 51(12), 3180-3198

"Minor Groove Binders and Drugs Targeting Proteins Cover Complementary Regions in Chemical Shape Space", J Chem Inf Model 2011, 51(9), 2223-2232

Book Chapter

"(How to) Profit from Molecular Dynamics-based Ensemble Docking", Application of Computational Techniques in Pharmacy and Medicine, 2014, 17, 501-538


Georg & Christine Sosnovsky Award, 06/2015

Post-doctoral By-Fellowship at Churchill College, Cambridge, UK, 2014-2015

Karl Schloegl Award of the Austrian Academy of Sciences, 10/2014

Prof. Ernst Brandl Award, 05/2014

Poster Award at the 9th Meeting of Doctoral Students, Innsbruck, 11/2013

Lecture Award at the 5th OEGMBT Annual Meeting, Innsbruck, 09/2013

Lecture Award at the 27th Molecular Modeling Workshop, Erlangen, 02/2013

Poster Award at the 25th Molecular Modeling Workshop, Erlangen, 04/2011

Lecture Award at the 24th Molecular Modeling Workshop, Erlangen, 03/2010

Invitation to Profil High Potential Day 2010 & 2011


Young Talents Grant, University of Innsbruck 2015-2017

DOC Fellowship of the Austrian Academy of Sciences, 2012-2014

PhD Scholarship of Leopold-Franzens-University, Innsbruck, 01/2011-12/2011