Quantifying Protein–Protein Interactions in Molecular Simulations

بواسطة Jost Lopez, Alfredo, Quoika, Patrick K., Linke, Max, Hummer, Gerhard, Köfinger, Jürgen
الحاوية / القاعدة J Phys Chem B (2020)

X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy

بواسطة Kraml, Johannes, Hofer, Florian, Quoika, Patrick K., Kamenik, Anna S., Liedl, Klaus R.
الحاوية / القاعدة J Chem Inf Model (2021)

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

بواسطة Fernández-Quintero, Monica L., Seidler, Clarissa A., Quoika, Patrick K., Liedl, Klaus R.
الحاوية / القاعدة Front Mol Biosci (2021)

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

بواسطة Quoika, Patrick K., Fernández-Quintero, Monica L., Podewitz, Maren, Hofer, Florian, Liedl, Klaus R.
الحاوية / القاعدة J Phys Chem B (2021)

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

بواسطة Quoika, Patrick K., Podewitz, Maren, Wang, Yin, Kamenik, Anna S., Loeffler, Johannes R., Liedl, Klaus R.
الحاوية / القاعدة J Phys Chem B (2020)

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

بواسطة Kamenik, Anna S., Kraml, Johannes, Hofer, Florian, Waibl, Franz, Quoika, Patrick K., Kahler, Ursula, Schauperl, Michael, Liedl, Klaus R.
الحاوية / القاعدة J Chem Inf Model (2020)

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

بواسطة Loeffler, Johannes R., Fernández-Quintero, Monica L., Waibl, Franz, Quoika, Patrick K., Hofer, Florian, Schauperl, Michael, Liedl, Klaus R.
الحاوية / القاعدة Front Chem (2021)

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

بواسطة 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.
الحاوية / القاعدة Front Mol Biosci (2020)