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2024
Modeling Photofunctional Transition Metal Complexes Bolano Losada, Iria ^LU (2024)
- Thesis › Doctoral thesis (compilation)
2023
Free-energy studies of ligand-binding affinities Ekberg, Vilhelm ^LU (2023)
- Thesis › Doctoral thesis (compilation)
Computational Studies of Metalloenzymes Torbjörnsson, Magne ^LU (2023)
- Thesis › Doctoral thesis (compilation)
A study of hydroelastic fluid-structure interaction with application to immersed cantilevers Lorentzon, Johan ^LU (2023)
- Thesis › Doctoral thesis (compilation)
A numerical study on orientational arrest and size segregation of dense particle flows using discrete element modeling Yousefian, Zakiyeh ^LU (2023)
- Thesis › Licentiate thesis
2022
Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions Haddadi, Sara ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Computational protein crystallography : How to get the most out of your data Bergmann, Justin ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Interfacial behaviours of ionic fluids : Theory and simulations Stenberg, Samuel ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Modeling of inorganic ions in aqueous solution Aspelin, Vidar ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Towards a multiconfigurational description of the electronic structure in solids Larsson, Ernst Dennis ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Extending relativistic linear response theory to address solvent effects Creutzberg, Joel ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Assessing the structural and dynamical properties of concentrated solutions of the disordered proteins Histatin 5 and its tandem repeat Fagerberg, Eric ^LU (2022)
- Thesis › Doctoral thesis (compilation)
2021
Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins Jephthah, Stephanie ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins Rieloff, Ellen ^LU (2021)
- Thesis › Doctoral thesis (compilation)
On the Thermodynamic Solvation of Biomolecules in Solution Hervö Hansen, Stefan ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Modelling Biomolecular Interactions of Protein Solutions : Combining Theories and Experiments Polimeni, Marco ^LU (2021)
- Thesis › Doctoral thesis (compilation)
2020
Computational Studies of Nitrogenase Cao, Lili ^LU (2020)
- Thesis › Doctoral thesis (compilation)
Interactions in aqueous salt solutions : Atomistic modelling versus experiment Aspelin, Vidar ^LU (2020)
- Thesis › Licentiate thesis
Coarse-Grained Modelling of Protein Adsorption Hyltegren, Kristin ^LU (2020)
- Thesis › Doctoral thesis (compilation)
Electrostatically Driven Structure Formation in Clay Dispersions Jansson, Maria ^LU (2020)
- Thesis › Doctoral thesis (compilation)
Numerical study of dense particle flows under planar shear Dong, Junhao ^LU (2020)
- Thesis › Doctoral thesis (compilation)
2019
Evaluation of the Tactoid Formation in Clay Systems Jansson, Maria ^LU (2019)
- Thesis › Licentiate thesis
Theoretical studies of protein-ligand binding Misini Ignjatovic, Majda ^LU (2019)
- Thesis › Doctoral thesis (compilation)
Assessing self-association of intrinsically disordered proteins by coarse-grained simulations and SAXS Rieloff, Ellen ^LU (2019)
- Thesis › Licentiate thesis
Two aspects of simulating disorder Jephthah, Stephanie ^LU (2019)
- Thesis › Licentiate thesis
Bridging the gap between computational chemistry and macromolecular crystallography Caldararu, Octav ^LU (2019)
- Thesis › Doctoral thesis (compilation)
2018
Small and Large, Charged Molecules in Solution and at Interfaces Tesei, Giulio ^LU (2018)
- Thesis › Doctoral thesis (compilation)
Theoretical Studies Using Simple Ionic Liquid Models Lu, Hongduo ^LU (2018)
- Thesis › Doctoral thesis (compilation)
QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities Olsson, Martin ^LU (2018)
- Thesis › Doctoral thesis (compilation)
Reaction mechanism of metalloenzymes studied by theoretical methods Dong, Geng ^LU (2018)
- Thesis › Doctoral thesis (compilation)
2017
Swelling and Microstructure of Nanoplatelet Systems Thuresson, Axel ^LU (2017)
- Thesis › Doctoral thesis (compilation)
Assessing Structural and thermodynamical properties of IDP's through Synchrotron X-ray Scattering and Monte Carlo Simulations Cragnell, Carolina ^LU (2017)
- Thesis › Licentiate thesis
2016
Electric interactions: A study of cellulose Stenqvist, Björn ^LU (2016)
- Thesis › Doctoral thesis (compilation)
Theoretical and Experimental Studies of Polymer Adsorption and Polymer Mediated Interactions Xie, Fei ^LU (2016)
- Thesis › Doctoral thesis (compilation)
Modeling and simulation of intrinsically disordered proteins Henriques, Joao ^LU (2016)
- Thesis › Doctoral thesis (compilation)
Making sense of adsorption : Attempting to explain the adsorption of histatin 5 with models, metaphors, and machines Hyltegren, Kristin ^LU (2016)
- Thesis › Licentiate thesis
2015
Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications Hedström, Svante ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Coarse-Grained Models of Ionic Solutions Szparaga, Ryan ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Assessment of Computational Methods for Ligand Binding Mikulskis, Paulius ^LU (2015)
- Thesis › Doctoral thesis (compilation)
2014
Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces Galynska, Marta ^LU (2014)
- Thesis › Doctoral thesis (compilation)
Anisotropic Protein Interactions in Salt Solutions and at Interfaces: Coarse Grained Modeling Kurut Sabanoglu, Anil ^LU (2014)
- Thesis › Doctoral thesis (compilation)
Synchrotron X-ray Scattering and Monte Carlo Simulations of Structure and Forces in Silicate Nanoplatelet Dispersions Segad, Mo ^LU (2014)
- Thesis › Doctoral thesis (compilation)
2012
Thermodynamics and Structure of Plate-Like Particle Dispersions Delhorme, Maxime ^LU (2012)
- Thesis › Doctoral thesis (compilation)
On the estimation of ligand binding affinities Genheden, Samuel ^LU (2012)
- Thesis › Doctoral thesis (compilation)
2011
Structure and Phase Behavior of Protein Solutions Persson, Björn ^LU (2011)
- Thesis › Doctoral thesis (compilation)
Simulations of Simple Fluids and Surface Forces Trulsson, Martin ^LU (2011)
- Thesis › Doctoral thesis (compilation)
2010
Calculations of accurate energies in proteins with QM/MM methods Heimdal, Jimmy ^LU (2010)
- Thesis › Doctoral thesis (compilation)
2009
A first-principles approach to protein–ligand interaction Söderhjelm, Pär ^LU (2009)
- Thesis › Doctoral thesis (compilation)
2008
Development and Application of a First Principle Molecular Model for Solvent Effects Öhrn, Anders ^LU (2008)
- Thesis › Doctoral thesis (compilation)
Polymer Mediated Surface Forces Turesson, Martin ^LU (2008)
- Thesis › Doctoral thesis (monograph)
2007
New Approaches to Large-Scale Electronic Structure Calculations Aquilante, Francesco ^LU (2007)
- Thesis › Doctoral thesis (compilation)
Theoretical Studies of Cytochrome P450 Rydberg, Patrik ^LU (2007)
- Thesis › Doctoral thesis (compilation)
2006
Theoretical Reflections of Solvation in Polar Media Hagberg, Daniel ^LU (2006)
- Thesis › Doctoral thesis (compilation)
Electrostatic Interactions In and Between Biomolecules Lund, Mikael ^LU (2006)
- Thesis › Doctoral thesis (compilation)
Development and Implementation of Methods in Theoretical Chemistry Krogh, Jesper Wisborg ^LU (2006)
- Thesis › Doctoral thesis (monograph)
2004
Theoretical aspects of tetrapyrrole biochemistry Jensen, Kasper ^LU (2004)
- Thesis › Doctoral thesis (compilation)
2003
Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies Broukhno, Andrei ^LU (2003)
- Thesis › Doctoral thesis (compilation)
Quantum Chemical Interpretation of Protein Crystal Structure Nilsson, Kristina ^LU (2003)
- Thesis › Doctoral thesis (compilation)
2001
Theoretical studies of porphyrin proteins Sigfridsson, Emma ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Studies of molecular systems with multiconfigurational methods Stålring, Jonna ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Charged Polymers: From DNA to Polyampholytes Khan, Malek O ^LU (2001)
- Thesis › Doctoral thesis (compilation)
Calculated Potential Energy Surfaces and Vibrational Analysis Forsberg, Niclas ^LU (2001)
- Thesis › Doctoral thesis (compilation)
2000
Theoretical studies of blue copper proteins Olsson, Mats H M ^LU (2000)
- Thesis › Doctoral thesis (compilation)
1999
Modeling of intra- and intermolecular potentials Brdarski, Stevica ^LU (1999)
- Thesis › Doctoral thesis (compilation)
Theoretical studies of response properties of organic molecules Bernhardsson, Anders ^LU (1999)
- Thesis › Doctoral thesis (compilation)
Statistical Mechanical Studies of Aqueous solutions and Biomolecular Systems Da Silva, Fernando Luis Barroso ^LU (1999)
- Thesis › Doctoral thesis (compilation)