Klaus R Liedl

Affiliations

Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, A-6020 Innsbruck, Austria. klaus.liedl@uibk.ac.at.

ORCID: http://orcid.org/0000-0002-0985-2299

Publications (53)

Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane.

Physical chemistry chemical physics : PCCP

Avec: Dennis F Dinu , Maren Podewitz , Hinrich Grothe , Thomas Loerting ,

Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory.

Journal of chemical information and modeling

Avec: Johannes Kraml , Florian Hofer , Anna S Kamenik , Franz Waibl , Ursula Kahler , Michael Schauperl ,

Antibody CDR loops as ensembles in solution vs. canonical clusters from X-ray structures.

mAbs

Avec: Monica L Fernández-Quintero , Martin C Heiss , Nancy D Pomarici , Barbara A Math ,

Hydration thermodynamics of cytosolic phospholipase A

Journal of biomolecular structure & dynamics

Avec: Sofia Vasilakaki , Johannes Kraml , Michael Schauperl , George Kokotos

pH-Dependent Protonation of the Phl p 6 Pollen Allergen Studied by NMR and cpH-aMD.

Journal of chemical theory and computation

Avec: Florian Hofer , Valentin Dietrich , Anna S Kamenik , Martin Tollinger ,

Structural determinants of voltage-gating properties in calcium channels.

eLife

Avec: Monica L Fernández-Quintero , Yousra El Ghaleb , Petronel Tuluc , Marta Campiglio , Bernhard E Flucher

Mutation of Framework Residue H71 Results in Different Antibody Paratope States in Solution.

Frontiers in immunology

Avec: Monica L Fernández-Quintero , Katharina B Kroell , Florian Hofer , Jakob R Riccabona ,

Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments.

Journal of chemical information and modeling

Avec: Anna S Kamenik , Johannes Kraml , Florian Hofer , Franz Waibl , Patrick K Quoika , Ursula Kahler , Michael Schauperl ,

Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1.

Frontiers in molecular biosciences

Avec: Anna S Kamenik , Florian Hofer , Philip H Handle ,

STACKED -

Journal of chemical information and modeling

Avec: Johannes R Loeffler , Monica L Fernández-Quintero , Michael Schauperl ,

T-Cell Receptor Variable β Domains Rigidify During Affinity Maturation.

Scientific reports

Avec: Monica L Fernández-Quintero , Clarissa A Seidler ,

Transitions of CDR-L3 Loop Canonical Cluster Conformations on the Micro-to-Millisecond Timescale.

Frontiers in immunology

Avec: Monica L Fernández-Quintero , Barbara A Math , Johannes R Loeffler ,

Ion-pair interactions between voltage-sensing domain IV and pore domain I regulate Ca

Biophysical journal

Avec: Yousra El Ghaleb , Monica L Fernández-Quintero , Stefania Monteleone , Petronel Tuluc , Marta Campiglio , Bernhard E Flucher

Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats.

Frontiers in molecular biosciences

Avec: Monica L Fernández-Quintero , Patrick K Quoika , Florian S Wedl , Clarissa A Seidler , Katharina B Kroell , Johannes R Loeffler , Nancy D Pomarici , Valentin J Hoerschinger , Alexander Bujotzek , Guy Georges , Hubert Kettenberger ,

Essential role of a conserved aspartate for the enzymatic activity of plasmanylethanolamine desaturase.

Cellular and molecular life sciences : CMLS

Avec: Ernst R Werner , Monica L Fernández-Quintero , Nicolas Hulo , Georg Golderer , Sabrina Sailer , Katharina Lackner , Gabriele Werner-Felmayer , Katrin Watschinger

Impact of different protonation states on virtual screening performance against cruzain.

Chemical biology & drug design

Avec: Viviane Corrêa Santos , Augusto César Broilo Campos , Birgit J Waldner , Rafaela Salgado Ferreira

Corrigendum: Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats.

Frontiers in molecular biosciences

Structural mechanism of Fab domain dissociation as a measure of interface stability.

Journal of computer-aided molecular design

Avec: Nancy D Pomarici , Franz Waibl , Patrick K Quoika , Alexander Bujotzek , Guy Georges , Monica L Fernández-Quintero ,

High Intrinsic Oncogenic Potential in the Myc-Box-Deficient

Cells

Avec: Marion Lechable , Xuechen Tang , Stefan Siebert , Angelika Feldbacher , Monica L Fernández-Quintero , Kathrin Breuker , Celina E Juliano , Bert Hobmayer , Markus Hartl

Structural basis of epitope selectivity and potent protection from malaria by PfCSP antibody L9.

Nature communications

Avec: Gregory M Martin , Monica L Fernández-Quintero , Wen-Hsin Lee , Tossapol Pholcharee , Lisa Eshun-Wilson , Marie Pancera , Robert A Seder , Ian A Wilson , Andrew B Ward

Evolution of the Immunoglobulin Isotypes-Variations of Biophysical Properties among Animal Classes.

Biomolecules

Avec: Nancy D Pomarici , Roberta Cacciato , Janik Kokot , Monica L Fernández-Quintero ,

Asymmetric Contribution of a Selectivity Filter Gate in Triggering Inactivation of Ca

bioRxiv : the preprint server for biology

Avec: Pedro J Del Rivero Morfin , Audrey L Kochiss , Bernhard E Flucher , Monica L I Fernández-Quintero , Manu Ben-Johny

The Dsc ubiquitin ligase complex identifies transmembrane degrons to degrade orphaned proteins at the Golgi.

Nature communications

Avec: Yannick Weyer , Sinead I Schwabl , Xuechen Tang , Astha Purwar , Konstantin Siegmann , Angela Ruepp , Theresia Dunzendorfer-Matt , Michael A Widerin , Veronika Niedrist , Noa J M Mutsters , Maria G Tettamanti , Sabine Weys , Bettina Sarg , Leopold Kremser , Oliver Schmidt , David Teis

Conformational selection of allergen-antibody complexes-surface plasticity of paratopes and epitopes.

Protein engineering, design & selection : PEDS

Avec: Monica L Fernández-Quintero , Johannes R Loeffler , Franz Waibl , Anna S Kamenik , Florian Hofer ,

Conformational flexibility correlates with glucose tolerance for point mutations in β-glucosidases - a computational study.

Journal of biomolecular structure & dynamics

Avec: Leonardo Henrique Franca de Lima , Monica Lisa Fernandez-Quintéro , Rafael Eduardo Oliveira Rocha , Diego César Batista Mariano , Raquel Cardoso de Melo-Minardi , Klaus Roman Liedl

Toward novel inhibitors against KdsB: a highly specific and selective broad-spectrum bacterial enzyme.

Journal of biomolecular structure & dynamics

Avec: Sajjad Ahmad , Saad Raza , Asma Abro , Syed Sikander Azam

The Hydrogenobyric Acid Structure Reveals the Corrin Ligand as an Entatic State Module Empowering B

Angewandte Chemie (International ed. in English)

Avec: Christoph Kieninger , Evelyne Deery , Andrew D Lawrence , Maren Podewitz , Klaus Wurst , Emi Nemoto-Smith , Florian J Widner , Joseph A Baker , Steffen Jockusch , Christoph R Kreutz , Karl Gruber , Martin J Warren , Bernhard Kräutler

Shark Antibody Variable Domains Rigidify Upon Affinity Maturation-Understanding the Potential of Shark Immunoglobulins as Therapeutics.

Frontiers in molecular biosciences

Avec: Monica L Fernández-Quintero , Clarissa A Seidler , Patrick K Quoika ,

Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil-Globule Transition by Markov States.

The journal of physical chemistry. B

Avec: Patrick K Quoika , Monica L Fernández-Quintero , Maren Podewitz , Florian Hofer ,

Conformational Ensembles of Antibodies Determine Their Hydrophobicity.

Biophysical journal

Avec: Franz Waibl , Monica L Fernández-Quintero , Anna S Kamenik , Johannes Kraml , Florian Hofer , Hubert Kettenberger , Guy Georges ,

Structure and Zeatin Binding of the Peach Allergen

Journal of agricultural and food chemistry

Avec: Reiner Eidelpes , Florian Hofer , Manuel Röck , Sebastian Führer , Anna Sophia Kamenik , Martin Tollinger

Calcium current modulation by the γ1 subunit depends on alternative splicing of CaV1.1.

The Journal of general physiology

Avec: Yousra El Ghaleb , Nadine J Ortner , Wilfried Posch , Monica L Fernández-Quintero , Wietske E Tuinte , Stefania Monteleone , Henning J Draheim , Doris Wilflingseder , Jörg Striessnig , Petronel Tuluc , Bernhard E Flucher , Marta Campiglio

Grid inhomogeneous solvation theory for cross-solvation in rigid solvents.

The Journal of chemical physics

Avec: Franz Waibl , Johannes Kraml , Valentin J Hoerschinger , Florian Hofer , Anna S Kamenik , Monica L Fernández-Quintero ,

The immunoglobulin A isotype of the Arabian camel (

Frontiers in immunology

Avec: Walter Conca , Soad M Saleh , Rana Al-Rabiah , Ranjit Singh Parhar , Mahmoud Abd-Elnaeim , Hussein Al-Hindas , Alexander Tinson , Katharina Birgit Kroell , Klaus Roman Liedl , Kate Collison , Uday Kishore , Futwan Al-Mohanna

Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels.

The Journal of general physiology

Avec: Pedro J Del Rivero Morfin , Audrey L Kochiss , Bernhard E Flucher , Monica L I Fernández-Quintero , Manu Ben-Johny

Structural Basis of the Immunological Cross-Reactivity between Kiwi and Birch Pollen.

Foods (Basel, Switzerland)

Avec: Ricarda Zeindl , Annika L Franzmann , Monica L Fernández-Quintero , Clarissa A Seidler , Valentin J Hoerschinger , Martin Tollinger

Determination of spectroscopic constants from rovibrational configuration interaction calculations.

The Journal of chemical physics

Avec: Dennis F Dinu , Martin Tschöpe , Benjamin Schröder , Guntram Rauhut

Comparison of hydrophobicity scales for predicting biophysical properties of antibodies.

Frontiers in molecular biosciences

Avec: Franz Waibl , Monica L Fernández-Quintero , Florian S Wedl , Hubert Kettenberger , Guy Georges ,

Ascorbylation of a Reactive Cysteine in the Major Apple Allergen Mal d 1.

Foods (Basel, Switzerland)

Avec: Linda Ahammer , Jana Unterhauser , Reiner Eidelpes , Christina Meisenbichler , Bettina Nothegger , Claudia E Covaciu , Valentina Cova , Anna S Kamenik , Kathrin Breuker , Klaus Eisendle , Norbert Reider , Thomas Letschka , Martin Tollinger

Structural Characterization of Nanobodies during Germline Maturation.

Biomolecules

Avec: Clarissa A Seidler , Janik Kokot , Monica L Fernández-Quintero ,

Cross-linking disulfide bonds govern solution structures of diabodies.

Proteins

Avec: Barbara A Math , Franz Waibl , Leonida M Lamp , Monica L Fernández-Quintero ,

Pathogenicity of de novo CACNA1D Ca

European journal of human genetics : EJHG

Avec: Xuechen Tang , Nadine J Ortner , Yuliia V Nikonishyna , Monica L Fernández-Quintero , Janik Kokot , Jörg Striessnig ,

Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces.

Journal of chemical theory and computation

Avec: Johannes Kraml , Anna S Kamenik , Franz Waibl , Michael Schauperl ,

T-Cell Receptor CDR3 Loop Conformations in Solution Shift the Relative Vα-Vβ Domain Distributions.

Frontiers in immunology

Avec: Monica L Fernández-Quintero , Nancy D Pomarici , Johannes R Loeffler , Clarissa A Seidler ,

Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations.

Journal of biomolecular structure & dynamics

Avec: Núbia Prates Toman , Anna Sophia Kamenik , Lucianna Helene Santos , Florian Hofer , Rafaela Salgado Ferreira

The intermolecular anthracene-transfer in a regiospecific antipodal C

Organic & biomolecular chemistry

Avec: Radu A Talmazan , Bernhard Kräutler , Maren Podewitz

Ni[B

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Leonard C Pasqualini , Oliver Janka , Selina Olthof , Hubert Huppertz , Rainer Pöttgen , Maren Podewitz , Jörn Bruns

Alpha-Carbonic Acid Revisited: Carbonic Acid Monomethyl Ester as a Solid and its Conformational Isomerism in the Gas Phase.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Eva-Maria Köck , Jürgen Bernard , Maren Podewitz , Dennis F Dinu , Roland G Huber , Hinrich Grothe , Erminald Bertel , Robert Schlögl , Thomas Loerting

Surprisingly Fast Interface and Elbow Angle Dynamics of Antigen-Binding Fragments.

Frontiers in molecular biosciences

Avec: Monica L Fernández-Quintero , Katharina B Kroell , Martin C Heiss , Johannes R Loeffler , Patrick K Quoika , Franz Waibl , Alexander Bujotzek , Ekkehard Moessner , Guy Georges ,

On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations.

Theoretical chemistry accounts

Avec: Dennis F Dinu , Maren Podewitz , Hinrich Grothe , Thomas Loerting ,

CACNA1I gain-of-function mutations differentially affect channel gating and cause neurodevelopmental disorders.

Brain : a journal of neurology

Avec: Yousra El Ghaleb , Pauline E Schneeberger , Monica L Fernández-Quintero , Stefanie M Geisler , Simone Pelizzari , Abeltje M Polstra , Johanna M van Hagen , Jonas Denecke , Marta Campiglio , Cathy A Stevens , Richard E Person , Stefan Rentas , Eric D Marsh , Laura K Conlin , Petronel Tuluc , Kerstin Kutsche , Bernhard E Flucher

Energy penalties enhance flexible receptor docking in a model cavity.

Proceedings of the National Academy of Sciences of the United States of America

Avec: Anna S Kamenik , Isha Singh , Parnian Lak , Trent E Balius , Brian K Shoichet

Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixtures.

Journal of computer-aided molecular design

Avec: Franz Waibl , Johannes Kraml , Monica L Fernández-Quintero , Johannes R Loeffler ,

Réseau de co-auteurs

Monica L Fernández-Quintero 29 collaborations

Florian Hofer 11 collaborations

Franz Waibl 11 collaborations

Anna S Kamenik 10 collaborations

Johannes R Loeffler 8 collaborations

Maren Podewitz 7 collaborations

Johannes Kraml 7 collaborations

Patrick K Quoika 7 collaborations

Clarissa A Seidler 7 collaborations

Nancy D Pomarici 6 collaborations

Bernhard E Flucher 6 collaborations

Guy Georges 6 collaborations

Michael Schauperl 5 collaborations

Dennis F Dinu 4 collaborations

Martin Tollinger 4 collaborations

Yousra El Ghaleb 4 collaborations

Petronel Tuluc 4 collaborations

Marta Campiglio 4 collaborations

Katharina B Kroell 4 collaborations

Valentin J Hoerschinger 4 collaborations

Alexander Bujotzek 4 collaborations

Hubert Kettenberger 4 collaborations

Hinrich Grothe 3 collaborations

Thomas Loerting 3 collaborations

Barbara A Math 3 collaborations

Florian S Wedl 3 collaborations

Xuechen Tang 3 collaborations

Janik Kokot 3 collaborations

Ursula Kahler 2 collaborations

Martin C Heiss 2 collaborations

Stefania Monteleone 2 collaborations

Rafaela Salgado Ferreira 2 collaborations

Kathrin Breuker 2 collaborations

Pedro J Del Rivero Morfin 2 collaborations

Audrey L Kochiss 2 collaborations

Monica L I Fernández-Quintero 2 collaborations

Manu Ben-Johny 2 collaborations

Klaus Roman Liedl 2 collaborations

Bernhard Kräutler 2 collaborations

Reiner Eidelpes 2 collaborations

Anna Sophia Kamenik 2 collaborations

Nadine J Ortner 2 collaborations

Jörg Striessnig 2 collaborations

Sofia Vasilakaki 1 collaboration

George Kokotos 1 collaboration

Valentin Dietrich 1 collaboration

Jakob R Riccabona 1 collaboration

Philip H Handle 1 collaboration

Ernst R Werner 1 collaboration

Nicolas Hulo 1 collaboration

Georg Golderer 1 collaboration

Sabrina Sailer 1 collaboration

Katharina Lackner 1 collaboration

Gabriele Werner-Felmayer 1 collaboration

Katrin Watschinger 1 collaboration

Viviane Corrêa Santos 1 collaboration

Augusto César Broilo Campos 1 collaboration

Birgit J Waldner 1 collaboration

Marion Lechable 1 collaboration

Stefan Siebert 1 collaboration

Angelika Feldbacher 1 collaboration

Celina E Juliano 1 collaboration

Bert Hobmayer 1 collaboration

Markus Hartl 1 collaboration

Gregory M Martin 1 collaboration

Wen-Hsin Lee 1 collaboration

Tossapol Pholcharee 1 collaboration

Lisa Eshun-Wilson 1 collaboration

Marie Pancera 1 collaboration

Robert A Seder 1 collaboration

Ian A Wilson 1 collaboration

Andrew B Ward 1 collaboration

Roberta Cacciato 1 collaboration

Yannick Weyer 1 collaboration

Sinead I Schwabl 1 collaboration

Astha Purwar 1 collaboration

Konstantin Siegmann 1 collaboration

Angela Ruepp 1 collaboration

Theresia Dunzendorfer-Matt 1 collaboration

Michael A Widerin 1 collaboration

Veronika Niedrist 1 collaboration

Noa J M Mutsters 1 collaboration

Maria G Tettamanti 1 collaboration

Sabine Weys 1 collaboration

Bettina Sarg 1 collaboration

Leopold Kremser 1 collaboration

Oliver Schmidt 1 collaboration

David Teis 1 collaboration

Leonardo Henrique Franca de Lima 1 collaboration

Monica Lisa Fernandez-Quintéro 1 collaboration

Rafael Eduardo Oliveira Rocha 1 collaboration

Diego César Batista Mariano 1 collaboration

Raquel Cardoso de Melo-Minardi 1 collaboration

Sajjad Ahmad 1 collaboration

Saad Raza 1 collaboration

Asma Abro 1 collaboration

Syed Sikander Azam 1 collaboration

Christoph Kieninger 1 collaboration

Evelyne Deery 1 collaboration

Andrew D Lawrence 1 collaboration

Klaus Wurst 1 collaboration

Emi Nemoto-Smith 1 collaboration

Florian J Widner 1 collaboration

Joseph A Baker 1 collaboration

Steffen Jockusch 1 collaboration

Christoph R Kreutz 1 collaboration

Karl Gruber 1 collaboration

Martin J Warren 1 collaboration

Manuel Röck 1 collaboration

Sebastian Führer 1 collaboration

Wilfried Posch 1 collaboration

Wietske E Tuinte 1 collaboration

Henning J Draheim 1 collaboration

Doris Wilflingseder 1 collaboration

Walter Conca 1 collaboration

Soad M Saleh 1 collaboration

Rana Al-Rabiah 1 collaboration

Ranjit Singh Parhar 1 collaboration

Mahmoud Abd-Elnaeim 1 collaboration

Hussein Al-Hindas 1 collaboration

Alexander Tinson 1 collaboration

Katharina Birgit Kroell 1 collaboration

Kate Collison 1 collaboration

Uday Kishore 1 collaboration

Futwan Al-Mohanna 1 collaboration

Ricarda Zeindl 1 collaboration

Annika L Franzmann 1 collaboration

Martin Tschöpe 1 collaboration

Benjamin Schröder 1 collaboration

Guntram Rauhut 1 collaboration

Linda Ahammer 1 collaboration

Jana Unterhauser 1 collaboration

Christina Meisenbichler 1 collaboration

Bettina Nothegger 1 collaboration

Claudia E Covaciu 1 collaboration

Valentina Cova 1 collaboration

Klaus Eisendle 1 collaboration

Norbert Reider 1 collaboration

Thomas Letschka 1 collaboration

Leonida M Lamp 1 collaboration

Yuliia V Nikonishyna 1 collaboration

Núbia Prates Toman 1 collaboration

Lucianna Helene Santos 1 collaboration

Radu A Talmazan 1 collaboration

Leonard C Pasqualini 1 collaboration

Oliver Janka 1 collaboration

Selina Olthof 1 collaboration

Hubert Huppertz 1 collaboration

Rainer Pöttgen 1 collaboration

Jörn Bruns 1 collaboration

Eva-Maria Köck 1 collaboration

Jürgen Bernard 1 collaboration

Roland G Huber 1 collaboration

Erminald Bertel 1 collaboration

Robert Schlögl 1 collaboration

Ekkehard Moessner 1 collaboration

Pauline E Schneeberger 1 collaboration

Stefanie M Geisler 1 collaboration

Simone Pelizzari 1 collaboration

Abeltje M Polstra 1 collaboration

Johanna M van Hagen 1 collaboration

Jonas Denecke 1 collaboration

Cathy A Stevens 1 collaboration

Richard E Person 1 collaboration

Stefan Rentas 1 collaboration

Eric D Marsh 1 collaboration

Laura K Conlin 1 collaboration

Kerstin Kutsche 1 collaboration

Isha Singh 1 collaboration

Parnian Lak 1 collaboration

Trent E Balius 1 collaboration

Brian K Shoichet 1 collaboration