Hydration of Aromatic Heterocycles as an Adversary of π-Stacking

por Loeffler, Johannes R., Schauperl, Michael, Liedl, Klaus R.
Publicado 2019

Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design

por Loeffler, Johannes R., Ehmki, Emanuel S. R., Fuchs, Julian E., Liedl, Klaus R.
Publicado 2016

STACKED – Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding

por Loeffler, Johannes R., Fernández-Quintero, Monica L., Schauperl, Michael, Liedl, Klaus R.
Publicado 2020

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

por Fernández-Quintero, Monica L., Math, Barbara A., Loeffler, Johannes R., Liedl, Klaus R.
Publicado 2019

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

por Waibl, Franz, Kraml, Johannes, Fernández-Quintero, Monica L., Loeffler, Johannes R., Liedl, Klaus R.
Publicado 2022

Thermosensitive Hydration of Four Acrylamide-Based Polymers in Coil and Globule Conformations

por Quoika, Patrick K., Podewitz, Maren, Wang, Yin, Kamenik, Anna S., Loeffler, Johannes R., Liedl, Klaus R.
Publicado 2020

Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

por Fernández-Quintero, Monica L., Loeffler, Johannes R., Kraml, Johannes, Kahler, Ursula, Kamenik, Anna S., Liedl, Klaus R.
Publicado 2019

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

por Fernández-Quintero, Monica L., Pomarici, Nancy D., Loeffler, Johannes R., Seidler, Clarissa A., Liedl, Klaus R.
Publicado 2020

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

por Fernández-Quintero, Monica L, Loeffler, Johannes R, Waibl, Franz, Kamenik, Anna S, Hofer, Florian, Liedl, Klaus R
Publicado 2019

Local and Global Rigidification Upon Antibody Affinity Maturation

por Fernández-Quintero, Monica L., Loeffler, Johannes R., Bacher, Lisa M., Waibl, Franz, Seidler, Clarissa A., Liedl, Klaus R.
Publicado 2020

Conformational Shifts of Stacked Heteroaromatics: Vacuum vs. Water Studied by Machine Learning

por Loeffler, Johannes R., Fernández-Quintero, Monica L., Waibl, Franz, Quoika, Patrick K., Hofer, Florian, Schauperl, Michael, Liedl, Klaus R.
Publicado 2021

PEP-Patch: Electrostatics in Protein–Protein Recognition, Specificity, and Antibody Developability

por Hoerschinger, Valentin J., Waibl, Franz, Pomarici, Nancy D., Loeffler, Johannes R., Deane, Charlotte M., Georges, Guy, Kettenberger, Hubert, Fernández-Quintero, Monica L., Liedl, Klaus R.
Publicado 2023

Germline-Dependent Antibody Paratope States and Pairing Specific V(H)-V(L) Interface Dynamics

por Fernández-Quintero, Monica L., Kroell, Katharina B., Bacher, Lisa M., Loeffler, Johannes R., Quoika, Patrick K., Georges, Guy, Bujotzek, Alexander, Kettenberger, Hubert, Liedl, Klaus R.
Publicado 2021

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

por Fernández-Quintero, Monica L., Kroell, Katharina B., Heiss, Martin C., Loeffler, Johannes R., Quoika, Patrick K., Waibl, Franz, Bujotzek, Alexander, Moessner, Ekkehard, Georges, Guy, Liedl, Klaus R.
Publicado 2020

Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1)

por Weiss, Alexander K. H., Wurzer, Richard, Klapec, Patrycia, Eder, Manuel Philip, Loeffler, Johannes R., von Grafenstein, Susanne, Monteleone, Stefania, Liedl, Klaus R., Jansen-Dürr, Pidder, Gstach, Hubert
Publicado 2021

Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats

por Fernández-Quintero, Monica L., Quoika, Patrick K., Wedl, Florian S., Seidler, Clarissa A., Kroell, Katharina B., Loeffler, Johannes R., Pomarici, Nancy D., Hoerschinger, Valentin J., Bujotzek, Alexander, Georges, Guy, Kettenberger, Hubert, Liedl, Klaus R.
Publicado 2022

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

por Fernández-Quintero, Monica L., Quoika, Patrick K., Wedl, Florian S., Seidler, Clarissa A., Kroell, Katharina B., Loeffler, Johannes R., Pomarici, Nancy D., Hoerschinger, Valentin J., Bujotzek, Alexander, Georges, Guy, Kettenberger, Hubert, Liedl, Klaus R.
Publicado 2022

Structure and Dynamics Guiding Design of Antibody Therapeutics and Vaccines

por Fernández-Quintero, Monica L., Pomarici, Nancy D., Fischer, Anna-Lena M., Hoerschinger, Valentin J., Kroell, Katharina B., Riccabona, Jakob R., Kamenik, Anna S., Loeffler, Johannes R., Ferguson, James A., Perrett, Hailee R., Liedl, Klaus R., Han, Julianna, Ward, Andrew B.
Publicado 2023

Phage display assisted discovery of a pH‐dependent anti‐α‐cobratoxin antibody from a natural variable domain library

por Tulika, Tulika, Pedersen, Rasmus W., Rimbault, Charlotte, Ahmadi, Shirin, Rivera‐de‐Torre, Esperanza, Fernández‐Quintero, Monica L., Loeffler, Johannes R., Bohn, Markus‐Frederik, Ljungars, Anne, Ledsgaard, Line, Voldborg, Bjørn G., Ruso‐Julve, Fulgencio, Andersen, Jan Terje, Laustsen, Andreas H.
Publicado 2023