Klaus Roman Liedl (Klaus R Liedl)

Scopus Author ID ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 103

Top Venues

Journal of chemical information and modeling

mAbs

Journal of chemical theory and computation

The Journal of general physiology

This page only lists publications with an associated author ORCID identifier.

Publications

Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Dennis F Dinu, Milan Ončák, Sven Thorwirth, Klaus Roman Liedl, Sandra Brünken, Stephan Schlemmer, Pavol Jusko
Zero-Point-Energy Driven Isotopic Exchange of the [H 3 O] - anion Probed by Mid-Infrared Action Spectroscopy. Journal of the American Chemical Society 146 (31) (2024)
Xuechen Tang, Nadine Jasmin Ortner, Yuliia V Nikonishyna, Monica L I Fernández-Quintero, Janik Kokot, Alexandra Pinggera, Klaus Roman Liedl
Pathogenicity of de novo CACNA1D Ca 2+ channel variants predicted from sequence co-variation. European journal of human genetics : EJHG 32 (9) (2024)
Xuechen Tang, Nadine Jasmin Ortner, Yuliia V Nikonishyna, Monica L I Fernández-Quintero, Janik Kokot, Alexandra Pinggera, Klaus Roman Liedl
Pathogenicity of de novo CACNA1D Ca 2+ channel variants predicted from sequence co-variation. European journal of human genetics : EJHG (2024)
Dennis F Dinu, Milan Ončák, Sven Thorwirth, Klaus Roman Liedl, Sandra Brünken, Stephan Schlemmer, Pavol Jusko
Zero-Point-Energy Driven Isotopic Exchange of the [H 3 O] - anion Probed by Mid-Infrared Action Spectroscopy. Journal of the American Chemical Society (2024)
Simone Pelizzari, Martin C Heiss, Monica L I Fernández-Quintero, Yousra El Ghaleb, Klaus Roman Liedl, Petronel Tuluc, Marta Campiglio, Bernhard E Flucher
Ca V 1.1 voltage-sensing domain III exclusively controls skeletal muscle excitation-contraction coupling. Nature communications 15 (1) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Dennis F Dinu, Milan Ončák, Sven Thorwirth, Klaus Roman Liedl, Sandra Brünken, Stephan Schlemmer, Pavol Jusko
Zero-Point-Energy Driven Isotopic Exchange of the [H 3 O] - anion Probed by Mid-Infrared Action Spectroscopy. Journal of the American Chemical Society 146 (31) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Simone Pelizzari, Martin C Heiss, Monica L I Fernández-Quintero, Yousra El Ghaleb, Klaus Roman Liedl, Petronel Tuluc, Marta Campiglio, Bernhard E Flucher
Ca V 1.1 voltage-sensing domain III exclusively controls skeletal muscle excitation-contraction coupling. Nature communications 15 (1) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Dennis F Dinu, Milan Ončák, Sven Thorwirth, Klaus Roman Liedl, Sandra Brünken, Stephan Schlemmer, Pavol Jusko
Zero-Point-Energy Driven Isotopic Exchange of the [H 3 O] - anion Probed by Mid-Infrared Action Spectroscopy. Journal of the American Chemical Society 146 (31) (2024)
Pedro J Del Rivero Morfin, Audrey L Kochiss, Klaus Roman Liedl, Bernhard E Flucher, Monica L I Fernández-Quintero, Manu Ben-Johny
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels. The Journal of general physiology 156 (2) (2024)
Barbara A Math, Franz Waibl, Leonida M Lamp, Monica L Fernández-Quintero, Klaus Roman Liedl
Cross-linking disulfide bonds govern solution structures of diabodies. Proteins (2023)
Monica L Fernández-Quintero, Janik Kokot, Franz Waibl, Anna-Lena M Fischer, Patrick K Quoika, Charlotte M Deane, Klaus Roman Liedl
Challenges in antibody structure prediction. mAbs 15 (1) (2023)
Marion Lechable, Xuechen Tang, Stefan Siebert, Angelika Feldbacher, Monica L I Fernández-Quintero, Kathrin Breuker, Celina E Juliano, Klaus Roman Liedl, Bert Hobmayer, Markus Hartl
High Intrinsic Oncogenic Potential in the Myc-Box-Deficient Hydra Myc3 Protein. Cells 12 (9) (2023)
Monica L I Fernández-Quintero, Anne Ljungars, Franz Waibl, Victor Greiff, Jan Terje Andersen, Torleif Tollefsrud Gjølberg, Timothy Patrick Jenkins, Bjørn Gunnar Rude Voldborg, Lise Marie Grav, Sandeep Kumar, Guy Georges, Hubert Kettenberger, Klaus Roman Liedl, Peter M Tessier, John McCafferty, Andreas Hougaard Laustsen
Assessing developability early in the discovery process for novel biologics. mAbs 15 (1) (2023)
Marion Lechable, Xuechen Tang, Stefan Siebert, Angelika Feldbacher, Monica L I Fernández-Quintero, Kathrin Breuker, Celina E Juliano, Klaus Roman Liedl, Bert Hobmayer, Markus Hartl
High Intrinsic Oncogenic Potential in the Myc-Box-Deficient Hydra Myc3 Protein. Cells 12 (9) (2023)
Monica L Fernández-Quintero, Janik Kokot, Franz Waibl, Anna-Lena M Fischer, Patrick K Quoika, Charlotte M Deane, Klaus Roman Liedl
Challenges in antibody structure prediction. mAbs 15 (1) (2023)
Clarissa A Seidler, Janik Kokot, Monica L I Fernández-Quintero, Klaus Roman Liedl
Structural Characterization of Nanobodies during Germline Maturation. Biomolecules 13 (2) (2023)
Monica L I Fernández-Quintero, Anne Ljungars, Franz Waibl, Victor Greiff, Jan Terje Andersen, Torleif Tollefsrud Gjølberg, Timothy Patrick Jenkins, Bjørn Gunnar Rude Voldborg, Lise Marie Grav, Sandeep Kumar, Guy Georges, Hubert Kettenberger, Klaus Roman Liedl, Peter M Tessier, John McCafferty, Andreas Hougaard Laustsen
Assessing developability early in the discovery process for novel biologics. mAbs 15 (1) (2023)
Marion Lechable, Xuechen Tang, Stefan Siebert, Angelika Feldbacher, Monica L I Fernández-Quintero, Kathrin Breuker, Celina E Juliano, Klaus Roman Liedl, Bert Hobmayer, Markus Hartl
High Intrinsic Oncogenic Potential in the Myc-Box-Deficient Hydra Myc3 Protein. Cells 12 (9) (2023)
Nancy D Pomarici, Roberta Cacciato, Janik Kokot, Monica L I Fernández-Quintero, Klaus Roman Liedl
Evolution of the Immunoglobulin Isotypes-Variations of Biophysical Properties among Animal Classes. Biomolecules 13 (5) (2023)
Monica L I Fernández-Quintero, Nancy D Pomarici, Anna-Lena M Fischer, Valentin J Hoerschinger, Katharina B Kroell, Jakob R Riccabona, Anna Sophia Kamenik, Johannes R Loeffler, James A Ferguson, Hailee R Perrett, Klaus Roman Liedl, Julianna Han, Andrew B Ward
Structure and Dynamics Guiding Design of Antibody Therapeutics and Vaccines. Antibodies (Basel, Switzerland) 12 (4) (2023)
Valentin J Hoerschinger, Franz Waibl, Nancy D Pomarici, Johannes R Loeffler, Charlotte M Deane, Guy Georges, Hubert Kettenberger, Monica L I Fernández-Quintero, Klaus Roman Liedl
PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity, and Antibody Developability. Journal of chemical information and modeling (2023)
Clarissa A Seidler, Janik Kokot, Monica L I Fernández-Quintero, Klaus Roman Liedl
Structural Characterization of Nanobodies during Germline Maturation. Biomolecules 13 (2) (2023)
Monica L I Fernández-Quintero, Anne Ljungars, Franz Waibl, Victor Greiff, Jan Terje Andersen, Torleif Tollefsrud Gjølberg, Timothy Patrick Jenkins, Bjørn Gunnar Rude Voldborg, Lise Marie Grav, Sandeep Kumar, Guy Georges, Hubert Kettenberger, Klaus Roman Liedl, Peter M Tessier, John McCafferty, Andreas Hougaard Laustsen
Assessing developability early in the discovery process for novel biologics. mAbs 15 (1) (2023)
Monica L Fernández-Quintero, Janik Kokot, Franz Waibl, Anna-Lena M Fischer, Patrick K Quoika, Charlotte M Deane, Klaus Roman Liedl
Challenges in antibody structure prediction. mAbs 15 (1) (2023)
Xuechen Tang, Janik Kokot, Franz Waibl, Monica L I Fernández-Quintero, Anna Sophia Kamenik, Klaus Roman Liedl
Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for Chameleonicity. Journal of chemical information and modeling (2023)
Monica L Fernández-Quintero, Janik Kokot, Franz Waibl, Anna-Lena M Fischer, Patrick K Quoika, Charlotte M Deane, Klaus Roman Liedl
Challenges in antibody structure prediction. mAbs 15 (1) (2023)
Ricarda Zeindl, Annika L Franzmann, Monica L I Fernández-Quintero, Clarissa A Seidler, Valentin J Hoerschinger, Klaus Roman Liedl, Martin Tollinger
Structural Basis of the Immunological Cross-Reactivity between Kiwi and Birch Pollen. Foods (Basel, Switzerland) 12 (21) (2023)
Monica L I Fernández-Quintero, Anne Ljungars, Franz Waibl, Victor Greiff, Jan Terje Andersen, Torleif Tollefsrud Gjølberg, Timothy Patrick Jenkins, Bjørn Gunnar Rude Voldborg, Lise Marie Grav, Sandeep Kumar, Guy Georges, Hubert Kettenberger, Klaus Roman Liedl, Peter M Tessier, John McCafferty, Andreas Hougaard Laustsen
Assessing developability early in the discovery process for novel biologics. mAbs 15 (1) (2023)
Clarissa A Seidler, Janik Kokot, Monica L I Fernández-Quintero, Klaus Roman Liedl
Structural Characterization of Nanobodies during Germline Maturation. Biomolecules 13 (2) (2023)
Clarissa A Seidler, Janik Kokot, Monica L I Fernández-Quintero, Klaus Roman Liedl
Structural Characterization of Nanobodies during Germline Maturation. Biomolecules 13 (2) (2023)
Rafael Eduardo Oliveira Rocha, Diego César Batista Mariano, Tiago Silva Almeida, Leon Sulfierry CorrêaCosta, Pedro Henrique Camargo Fischer, Lucianna Helene Santos, Ernesto Raul Caffarena, Carlos Henrique da Silveira, Leonida M Lamp, Monica Lisa Fernandez-Quintero, Klaus Roman Liedl, Raquel Cardoso de Melo-Minardi, Leonardo Henrique França de Lima
Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches. Proteins (2022)
Sebastian Führer, Jana Unterhauser, Ricarda Zeindl, Reiner Eidelpes, Monica L I Fernández-Quintero, Klaus Roman Liedl, Martin Tollinger
The Structural Flexibility of PR-10 Food Allergens. International journal of molecular sciences 23 (15) (2022)
Monica L I Fernández-Quintero, Eugene F DeRose, Scott A Gabel, Geoffrey A Mueller, Klaus Roman Liedl
Nanobody Paratope Ensembles in Solution Characterized by MD Simulations and NMR. International journal of molecular sciences 23 (10) (2022)
Dennis F Dinu, Pit Bartl, Patrick K Quoika, Maren Podewitz, Klaus Roman Liedl, Hinrich Grothe, Thomas Loerting
Increase of Radiative Forcing through Midinfrared Absorption by Stable CO 2 Dimers? The journal of physical chemistry. A 126 (19) (2022)
Ernst R Werner, Monica L I Fernández-Quintero, Nicolas Hulo, Georg Golderer, Sabrina Sailer, Katharina Lackner, Gabriele Werner-Felmayer, Klaus Roman Liedl, Katrin Watschinger
Essential role of a conserved aspartate for the enzymatic activity of plasmanylethanolamine desaturase. Cellular and molecular life sciences : CMLS 79 (4) (2022)
Maren Podewitz, Yin Wang, Paraskevi Gkeka, Susanne von Grafenstein, Klaus Roman Liedl, Zoe Cournia
Correction to "Phase Diagram of a Stratum Corneum Lipid Mixture". The journal of physical chemistry. B 126 (16) (2022)
Franz Waibl, Johannes Kraml, Valentin J Hoerschinger, Florian Hofer, Anna Sophia Kamenik, Monica L I Fernández-Quintero, Klaus Roman Liedl
Grid inhomogeneous solvation theory for cross-solvation in rigid solvents. The Journal of chemical physics 156 (20) (2022)
Linda Ahammer, Jana Unterhauser, Reiner Eidelpes, Christina Meisenbichler, Bettina Nothegger, Claudia E Covaciu, Valentina Cova, Anna Sophia Kamenik, Klaus Roman Liedl, Kathrin Breuker, Klaus Eisendle, Norbert Reider, Thomas Letschka, Martin Tollinger
Ascorbylation of a Reactive Cysteine in the Major Apple Allergen Mal d 1. Foods (Basel, Switzerland) 11 (19) (2022)
Franz Waibl, Johannes Kraml, Monica L Fernández-Quintero, Johannes R Loeffler, Klaus Roman Liedl
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 36 (2) (2022)
Monica L I Fernández-Quintero, Katharina B Kroell, Lukas J Grunewald, Anna-Lena M Fischer, Jakob R Riccabona, Klaus Roman Liedl
CDR loop interactions can determine heavy and light chain pairing preferences in bispecific antibodies. mAbs 14 (1) (2022)
Reinhard Thaler, Holger Kopacka, Klaus Wurst, Thomas Müller, Dennis F Dinu, Klaus Roman Liedl, Florian R Neururer, Stephan Hohloch, Benno Bildstein
Borylated Cymantrenes and Tromancenium Salts with Unusual Reactivity. Organometallics 41 (11) (2022)
Nancy D Pomarici, Monica L Fernández-Quintero, Patrick K Quoika, Franz Waibl, Alexander Bujotzek, Guy Georges, Klaus Roman Liedl
Bispecific antibodies-effects of point mutations on CH3-CH3 Interface stability. Protein engineering, design & selection : PEDS (2022)
Reiner Eidelpes, Florian Hofer, Manuel Röck, Sebastian Führer, Anna Sophia Kamenik, Klaus Roman Liedl, Martin Tollinger
Structure and Zeatin Binding of the Peach Allergen Pru p 1. Journal of agricultural and food chemistry 69 (29) (2021)
Anna Sophia Kamenik, Philip H Handle, Florian Hofer, Ursula Kahler, Johannes Kraml, Klaus Roman Liedl
Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding. The Journal of chemical physics 153 (18) (2021)
Sebastian Führer, Anna Sophia Kamenik, Ricarda Zeindl, Bettina Nothegger, Florian Hofer, Norbert Reider, Klaus Roman Liedl, Martin Tollinger
Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Scientific reports 11 (1) (2021)
Monica L I Fernández-Quintero, Guy Georges, Janos M Varga, Klaus Roman Liedl
Ensembles in solution as a new paradigm for antibody structure prediction and design. mAbs 13 (1) (2021)
Jenna J Guthmiller, Julianna Han, Henry A Utset, Lei Li, Linda Yu-Ling Lan, Carole Henry, Christopher T Stamper, Meagan McMahon, George O'Dell, Monica L Fernández-Quintero, Alec W Freyn, Fatima Amanat, Olivia Stovicek, Lauren Gentles, Sara T Richey, Alba Torrents de la Peña, Victoria Rosado, Haley L Dugan, Nai-Ying Zheng, Micah E Tepora, Dalia J Bitar, Siriruk Changrob, Shirin Strohmeier, Min Huang, Adolfo García-Sastre, Klaus Roman Liedl, Jesse D Bloom, Raffael Nachbagauer, Peter Palese, Florian Krammer, Lynda Coughlan, Andrew B Ward, Patrick C Wilson
Broadly neutralizing antibodies target a haemagglutinin anchor epitope. Nature 602 (7896) (2021)
Anamika Dayal, Monica L I Fernández-Quintero, Klaus Roman Liedl, Manfred Grabner
Pore mutation N617D in the skeletal muscle DHPR blocks Ca2+ influx due to atypical high-affinity Ca2+ binding. eLife 10 (2021)
Mayk C Ramos, Patrick K Quoika, Vitor A C Horta, Douglas M Dias, Elan G Costa, Jorge L M do Amaral, Luigi M Ribeiro, Klaus Roman Liedl, Bruno A C Horta
pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. Journal of chemical information and modeling 61 (4) (2021)
Monica L I Fernández-Quintero, Yousra El Ghaleb, Petronel Tuluc, Marta Campiglio, Klaus Roman Liedl, Bernhard E Flucher
Structural determinants of voltage-gating properties in calcium channels. eLife 10 (2021)
Monica L I Fernández-Quintero, Martin C Heiss, Nancy D Pomarici, Barbara A Math, Klaus Roman Liedl
Antibody CDR loops as ensembles in solution vs. canonical clusters from X-ray structures. mAbs 12 (1) (2021)
Johannes Kraml, Florian Hofer, Patrick K Quoika, Anna S Kamenik, Klaus Roman Liedl
X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy. Journal of chemical information and modeling 61 (4) (2021)
Alexander K H Weiss, Richard Wurzer, Patrycia Klapec, Manuel Philip Eder, Johannes R Loeffler, Susanne von Grafenstein, Stefania Monteleone, Klaus Roman Liedl, Pidder Jansen-Duerr, Hubert Gstach
Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1). Molecules (Basel, Switzerland) 26 (16) (2021)
Patrick K Quoika, Monica L I Fernández-Quintero, Maren Podewitz, Florian Hofer, Klaus Roman Liedl
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 125 (18) (2021)
Yousra El Ghaleb, Pauline E Schneeberger, Monica L I Fernández-Quintero, Stefanie M Geisler, Simone Pelizzari, Abeltje M Polstra, Johanna M van Hagen, Jonas Denecke, Marta Campiglio, Klaus Roman Liedl, Cathy A Stevens, Richard E Person, Stefan Rentas, Eric D Marsh, Laura K Conlin, Petronel Tuluc, Andreas R Janecke, Bernhard E Flucher
CACNA1I gain-of-function mutations differentially affect channel gating and cause neurodevelopmental disorders. Brain : a journal of neurology 144 (7) (2021)
Patrick K Quoika, Maren Podewitz, Yin Wang, Anna S Kamenik, Johannes R Loeffler, Klaus Roman Liedl
Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations. The journal of physical chemistry. B 124 (43) (2020)
Núbia Prates Toman, Anna Sophia Kamenik, Lucianna Helene Santos, Florian Hofer, Klaus Roman Liedl, Rafaela Salgado Ferreira
Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations. Journal of biomolecular structure & dynamics 39 (16) (2020)
Christoph Kieninger, Klaus Wurst, Maren Podewitz, Maria Stanley, Evelyne Deery, Andrew D Lawrence, Klaus Roman Liedl, Martin J Warren, Bernhard Kräutler
Replacement of the Cobalt Center of Vitamin B12 by Nickel: Nibalamin and Nibyric Acid Prepared from Metal-Free B12 Ligands Hydrogenobalamin and Hydrogenobyric Acid. Angewandte Chemie (International ed. in English) 59 (45) (2020)
Johannes Kraml, Florian Hofer, Anna S Kamenik, Franz Waibl, Ursula Kahler, Michael Schauperl, Klaus Roman Liedl
Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory. Journal of chemical information and modeling 60 (8) (2020)
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
Conformational flexibility correlates with glucose tolerance for point mutations in β-glucosidases - a computational study. Journal of biomolecular structure & dynamics 39 (5) (2020)
Anna S Kamenik, Johannes Kraml, Florian Hofer, Franz Waibl, Patrick K Quoika, Ursula Kahler, Michael Schauperl, Klaus Roman Liedl
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments. Journal of chemical information and modeling 60 (7) (2020)
Alexander Spinn, Philip H Handle, Johannes Kraml, Thomas S Hofer, Klaus Roman Liedl
Charge Anisotropy of Nitrogen: Where Chemical Intuition Fails. Journal of chemical theory and computation 16 (7) (2020)
Johannes R Loeffler, Monica L Fernández-Quintero, Michael Schauperl, Klaus Roman Liedl
STACKED - Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding. Journal of chemical information and modeling 60 (4) (2020)
Sofia Vasilakaki, Johannes Kraml, Michael Schauperl, Klaus Roman Liedl, George Kokotos
Hydration thermodynamics of cytosolic phospholipase A2 GIVA predict its membrane-associated parts and its highly hydrated binding site. Journal of biomolecular structure & dynamics 39 (3) (2020)
Monica L Fernández-Quintero, Valentin J Hoerschinger, Leonida M Lamp, Alexander Bujotzek, Guy Georges, Klaus Roman Liedl
VH -VL interdomain dynamics observed by computer simulations and NMR. Proteins 88 (7) (2020)
Florian Hofer, Johannes Kraml, Ursula Kahler, Anna S Kamenik, Klaus Roman Liedl
Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations. Journal of chemical information and modeling 60 (6) (2020)
Ursula Kahler, Anna Sophia Kamenik, Johannes Kraml, Klaus Roman Liedl
Sodium-induced population shift drives activation of thrombin. Scientific reports 10 (1) (2020)
Sina K Goetzfried, Caroline M Gallati, Monika Cziferszky, Radu A Talmazan, Klaus Wurst, Klaus Roman Liedl, Maren Podewitz, Ronald Gust
N-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and Their Oxidation to Gold(III) in Aqueous Solutions. Inorganic chemistry 59 (20) (2020)
Katharina Herz, Maren Podewitz, Laura Stöhr, Dongren Wang, Wolfgang Frey, Klaus Roman Liedl, Suman Sen, Michael R Buchmeiser
Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Journal of the American Chemical Society 141 (20) (2019)
Monica L I Fernández-Quintero, Johannes Kraml, Guy Georges, Klaus Roman Liedl
CDR-H3 loop ensemble in solution - conformational selection upon antibody binding. mAbs 11 (6) (2019)
Dennis F Dinu, Maren Podewitz, Hinrich Grothe, Klaus Roman Liedl, Thomas Loerting
Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices. The journal of physical chemistry. A 123 (38) (2019)
Eva-Maria Köck, Jürgen Bernard, Maren Podewitz, Dennis F Dinu, Roland G Huber, Klaus Roman Liedl, Hinrich Grothe, Erminald Bertel, Robert Schlögl, Thomas Loerting
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) 26 (1) (2019)
Johannes Kraml, Anna S Kamenik, Franz Waibl, Michael Schauperl, Klaus Roman Liedl
Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces. Journal of chemical theory and computation 15 (11) (2019)
Christoph Kieninger, Joseph A Baker, Maren Podewitz, Klaus Wurst, Steffen Jockusch, Andrew D Lawrence, Evelyne Deery, Karl Gruber, Klaus Roman Liedl, Martin J Warren, Bernhard Kräutler
Zinc Substitution of Cobalt in Vitamin B12 : Zincobyric acid and Zincobalamin as Luminescent Structural B12 -Mimics. Angewandte Chemie (International ed. in English) 58 (41) (2019)
Maren Podewitz, Yin Wang, Patrick K Quoika, Johannes R Loeffler, Michael Schauperl, Klaus Roman Liedl
Coil-Globule Transition Thermodynamics of Poly(N-isopropylacrylamide). The journal of physical chemistry. B 123 (41) (2019)
Leon Sulfierry Corrêa Costa, Diego César Batista Mariano, Rafael Eduardo Oliveira Rocha, Johannes Kraml, Carlos Henrique da Silveira, Klaus Roman Liedl, Raquel Cardoso de Melo-Minardi, Leonardo Henrique Franca de Lima
Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases. Molecules (Basel, Switzerland) 24 (18) (2019)
Johannes R Loeffler, Michael Schauperl, Klaus Roman Liedl
Hydration of Aromatic Heterocycles as an Adversary of π-Stacking. Journal of chemical information and modeling 59 (10) (2019)
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, Klaus Roman Liedl, Karl Gruber, Martin J Warren, Bernhard Kräutler
The Hydrogenobyric Acid Structure Reveals the Corrin Ligand as an Entatic State Module Empowering B12 Cofactors for Catalysis. Angewandte Chemie (International ed. in English) 58 (31) (2019)
Florian Hofer, Valentin Dietrich, Anna S Kamenik, Martin Tollinger, Klaus Roman Liedl
pH-Dependent Protonation of the Phl p 6 Pollen Allergen Studied by NMR and cpH-aMD. Journal of chemical theory and computation 15 (10) (2019)
Lucianna H Santos, Birgit J Waldner, Julian E Fuchs, Glaécia A N Pereira, Klaus Roman Liedl, Ernesto R Caffarena, Rafaela Salgado Ferreira
Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations. Journal of chemical information and modeling 59 (1) (2018)
Birgit J Waldner, Johannes Kraml, Ursula Kahler, Alexander Spinn, Michael Schauperl, Maren Podewitz, Julian E Fuchs, Gabriele Cruciani, Klaus Roman Liedl
Electrostatic recognition in substrate binding to serine proteases. Journal of molecular recognition : JMR 31 (10) (2018)
Maren Podewitz, Yin Wang, Paraskevi Gkeka, Susanne von Grafenstein, Klaus Roman Liedl, Zoe Cournia
Phase Diagram of a Stratum Corneum Lipid Mixture. The journal of physical chemistry. B 122 (46) (2018)
Theresia Erhart, Cecilia Mittelberger, Xiujun Liu, Maren Podewitz, Chengjie Li, Gerhard Scherzer, Gertrud Stoll, Josep Valls, Peter Robatscher, Klaus Roman Liedl, Michael Oberhuber, Bernhard Kräutler
Novel Types of Hypermodified Fluorescent Phyllobilins from Breakdown of Chlorophyll in Senescent Leaves of Grapevine (Vitis vinifera). Chemistry (Weinheim an der Bergstrasse, Germany) 24 (65) (2018)
Stefan Vanicek, Maren Podewitz, Jessica Stubbe, Dennis Schulze, Holger Kopacka, Klaus Wurst, Thomas Müller, Petra Lippmann, Simone Haslinger, Herwig Schottenberger, Klaus Roman Liedl, Ingo Ott, Biprajit Sarkar, Benno Bildstein
Highly Electrophilic, Catalytically Active and Redox-Responsive Cobaltoceniumyl and Ferrocenyl Triazolylidene Coinage Metal Complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (15) (2018)
Chengjie Li, Klaus Wurst, Joachim Berghold, Maren Podewitz, Klaus Roman Liedl, Bernhard Kräutler
Pyro-Phyllobilins: Elusive Chlorophyll Catabolites Lacking a Critical Carboxylate Function of the Natural Chlorophylls. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (12) (2018)
Anna S Kamenik, Uta Lessel, Julian E Fuchs, Thomas Fox, Klaus Roman Liedl
Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization. Journal of chemical information and modeling 58 (5) (2018)
Stefan Vanicek, Maren Podewitz, Christopher Hassenrück, Michael Pittracher, Holger Kopacka, Klaus Wurst, Thomas Müller, Klaus Roman Liedl, Rainer F Winter, Benno Bildstein
Cobaltocenylidene: A Mesoionic Metalloceno Carbene, Stabilized in a Gold(III) Complex. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (13) (2018)
Jörn Bruns, Maren Podewitz, Michael Schauperl, Bastian Joachim, Klaus Roman Liedl, Hubert Huppertz
CaB2 S4 O16 : A Borosulfate Exhibiting a New Structure Type with Phyllosilicate Analogue Topology. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (66) (2017)
Martin K Schmitt, Maren Podewitz, Klaus Roman Liedl, Hubert Huppertz
High-Pressure Synthesis and Characterization of the Ammonium Yttrium Borate (NH4)YB8O14. Inorganic chemistry 56 (22) (2017)

Klaus Roman Liedl.css-eqlu8i{font-size:small;padding-left:4px;} (Klaus R Liedl)

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Klaus Roman Liedl (Klaus R Liedl)