Abstracts
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29 gefundene Arbeiten


TypAutorInTitel/Band Jahr
Diss MSc. Anita de Ruiter CALCULATION OF BINDING FREE ENERGIES FROM BIOMOLECULAR SIMULATIONS
 2013
Diss Dipl.-Ing., BSc Matthias Diem OPTIMIZATION AND VALIDATION OF FORCE-FIELD PARAMETERS FOR MOLECULAR DYNAMICS
SIMULATIONS
 2021
MA BSc Matthias Diem THE EFFECT OF CHANGES IN THE ENVIRONMENT ON THE STABILITY AND SURFACE PROPERTIES OF PROTEINS.
STUDIED BY IN SILICO METHODS.
 2017
Diss  Yerko Ignacio Escalona Balboa Towards the understanding of Soil Organic Matter via molecular modeling and simulations 2021
MA BSc Daniel Fast Solvation free energies of amino acid analogues using molecular dynamics simulations 2016
MA BSc Michael Gillhofer Correction of electrostatic artefacts and reweighting of ensemble properties from molecular simulations 2023
MA BSc Mathias Gotsmy Exploring the Structure and Dynamics of Proteins in Soil Organic Matter 2020
Diss M.Sc. Oriol Gracia i Carmona Accelerated exploration of slow relaxing processes:
developing free-energy methodology via reference state methods
 2024
Diss Dipl.-Ing., Bakk. techn. Melanie Grandits Modeling of Protein-Ligand Interactions: Applications and Use of Computational Resources 2014
MA Bakk. techn. Melanie Grandits Virtual screening for small molecule inhibitors of the NOPSI protein 2011
Diss MA Enikö Hermann Characterization and engineering of dyedecolorizing peroxidases and a pyranose oxidase from Kitasatospora aureofaciens 2024
Diss  Zuzana Jandova BIOMOLECULAR FREE ENERGIES: MUTANTS AND POSES 2018
MA BA BSc Natalia Dorota Lagan Structural comparison and categorization of the plant CYP-family 2024
Diss MSc Balder Yin-Wing Lai From model systems to biomolecular complexes Exploring entropy and protein stability 2014
MA BSc Bettina Lier Free Energies of Charge Changes 2019
MA BSc Jakob Dong Hua Liu Characterisation and Optimisation of DNA parameters in the GROMOS force field 2020
Diss Mag.rer.nat. Christian Margreitter From amino acids to proteins: on the parametrization and automation of molecular simulation 2016
Diss Mag.rer.nat. Manuela Maurer Quantification of Water-governed Ligand Binding by Advanced Free-energy Calculation Methods 2019
Diss  Gabor Nagy Shapes and Free Energies of Biopolymers
Computational Studies of Structure and Molecular Recognition
 2014
Diss Dipl.-Ing., BSc Jan Walther Perthold New Developments and Critical Views on Binding Free-
Energy Calculations using Molecular Mechanics
 2023
MA BSc Jan Walther Perthold CALCULATION OF PROTEIN-PROTEIN BINDING FREE ENERGIES USING MOLECULAR DYNAMICS SIMULATIONS 2017
MA BSc Bernhard Roither A molecular dynamics study of the immune checkpoint PD-1:
Analysis of conformational changes upon binding of PD-L1 and the therapeutic monoclonal antibodies nivolumab and pembrolizumab
 2019
MA Mst. Mst., BSc Marc Christopher Schuh Constant pH simulations with accelerated enveloping distribution sampling 2023
Diss Dipl.-Ing., Bakk. techn. Martina Setz Molecular Dynamics Simulations of Biomolecules:
From Validation to Application
 2018
Diss Dipl.-Ing. Elise Adeline Océane Sylvander Engineering a small molecule regulated heterodimerization system for the control of CAR T cells. 2024
Diss Dipl.-Ing., Bakk. techn. Axel Sündermann Computer simulations of biomolecular and geochemical systems 2014
MA Bakk. techn. Axel Sündermann Structure and Dynamics of NOPSI-RNA Complexes 2011
Diss  Aysegül Turupcu Molecular Simulations of Glycans and Glycoproteins 2019
Diss Dipl.-Ing., BSc Christoph Öhlknecht IN SILICO PROTEIN DESIGN: Fixing What Matters 2020
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