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29 gefundene Arbeiten
Typ
AutorIn
Titel/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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