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Research GBB Molecular Dynamics Group Publications

Theses

Person

Year

Title

Juliana Vilacha Madeira R Santos
2023
Mapping the Kinase Mutation Landscape - A Computational Exploration
Melanie König
2023

From Lipid to Life

Petteri Vainikka
2023
Coarse-grained molecular dynamics of molecular machines and deep eutectic solvents
Fabian Grünewald
2023
Material Design using Martini
Maria Tsanai
2022

Modeling of liquid-liquid phase separation in biological systems

Carlos Ramirez Palacios
2022

Numerical simulations of proteins

Bart Bruininks
2021

On the road to simulating life with molecular detail

Yang Liu
2020
Peter Kroon
2020
Ilias Patmanidis
2020
Riccardo Alessandri
2019
Juanjuan Su
2017
Jaakko Uusitalo
2016
Floris van Eerden
2016
Clement Arnarez
2014
Nur Alia Oktaviani
2014
Djurre de Jong
2013
César López Bautista
2012
Andrzej Rzepiela
2011
Renee Otten
2011

Protein structure and dynamics by NMR: synergy between biochemistry and pulse sequence design

Marcelo Masman
2010
Marc Fuhrmans
2010
Daniela Mueller
2010

The effects of urea and of pH on protein structure studies by molecular dynamics simulation

Ying Xue
2010
Jelger Risselada
2009
Magdalena Siwko
2008

Disturb or Stabilize? Effects of different molecules on biological membranes

Tsjerk Wassenaar
2006
Hao Fan
2006
Hari Leontiadou
2005

Gilles Pieffet

2005

The application of molecular dynamics simulation techniques and free energy calculations to predict protein-protein and protein-ligand interactions

Gerrit Groenhof

2005

Understanding light-induced conformational changes in molecular systems from first principles

Patricia Soto-Becerra

2004

Peptide folding in non-aqueous environments investigated with molecular dynamics simulations: possibilities and limitations

Franciska van Lune

2004

Residual dipolar couplings: a new technique for structure determination of proteins in solution

Berk Hess

2002

Stochastic concepts in molecular simulation

Eiso AB

2002

Structural studies on IIB

Alexander Morozov

2002

Orientational transitions in block-copolymer melts under shear flow

Marc Lensink

2002

Non-adiabatic proton transfer in biomolecular systems

Anton Feenstra

2002

Long term dynamics of proteins and peptides

Marcel Swart

2002

Density Functional Theory Applied to Copper Proteins

Lucia Creveld

2001

Molecular dynamics simulations in rational protein design: stabilisation of Fusarium solani pisi cudinase against anionic surfactants

Pieter Meulenhoff

1999

Interfacial action of phospholipase A 2: A molecular dynamics study.

Bert de Groot

1999

Native State Protein Dynamics, a theoretical approach

Peter Tieleman

1998

Theoretical studies of membrane models: Molecular dynamics of water, lipids and membrane proteins

Bernard van Vlimmeren

1998

Mesoscopic dynamics, simulation of microphase separation dynamics in polymer liquids

Andrea Amadei

1998

Theoretical models for fluid thermodynamics based on the quasi-Gaussian entropy theory

Ton Linssen

1998

Molecular dynamics simulations of haloalkane dehalogenase

Natalia Maurits

1998

Mathematical modeling of complex systems, microphase separation dynamics in polymer liquids

Emile Apol

1997

The quasi-gaussian entropy theory, temperature dependence of thermodynamic properties using distribution functions

David van der Spoel

1996

Structure and dynamics of peptides: Theoretical aspects of protein folding

Henk Bekker

1996

Molecular dynamics simulation methods revised

Alex de Vries

1995

Modelling condensed-phase systems : from quantum chemistry to molecular models (PDF)

Siewert Jan Marrink

1994

Permeation of small molecules across lipid membranes. A molecular dynamics study.

Last modified:26 April 2024 3.05 p.m.