Publications | Lund University Publications

21 – 30 of 36

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/publication?embed=1&q=keywords+exact+%22Molecular+Dynamics+Simulation%22&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

2015
Mark Exceptionally large entropy contributions enable the high rates of GTP hydrolysis on the ribosome
Åqvist, Johan and Kamerlin, Shina C L ^LU (2015) In Scientific Reports 5.
- Contribution to journal › Article
Mark Structural basis for lack of ADP-ribosyltransferase activity in poly(ADP-ribose) polymerase-13/zinc finger antiviral protein
Karlberg, Tobias ^LU ; Klepsch, Mirjam ; Thorsell, Ann-Gerd ; Andersson, C David ; Linusson, Anna and Schüler, Herwig ^LU (2015) In The Journal of biological chemistry 290(12). p.44-7336
- Contribution to journal › Article
2014
Mark Macrolide antibiotics allosterically predispose the ribosome for translation arrest
Sothiselvam, Shanmugapriya ; Liu, Bo ; Han, Wei ; Ramu, Haripriya ; Klepacki, Dorota ; Atkinson, Gemma Catherine ^LU ; Brauer, Age ; Remm, Maido ; Tenson, Tanel and Schulten, Klaus , et al. (2014) In Proceedings of the National Academy of Sciences of the United States of America 111(27). p.9804-9809
- Contribution to journal › Article
Mark Understanding the structural and dynamic consequences of DNA epigenetic modifications : Computational insights into cytosine methylation and hydroxymethylation
Carvalho, Alexandra T P ; Gouveia, Leonor ; Kanna, Charan Raju ; Wärmländer, Sebastian K T S ; Platts, Jamie A and Kamerlin, Shina Caroline Lynn ^LU (2014) In Epigenetics 9(12). p.12-1604
- Contribution to journal › Article
Mark Challenges in computational studies of enzyme structure, function and dynamics
Carvalho, Alexandra T P ; Barrozo, Alexandre ; Doron, Dvir ; Kilshtain, Alexandra Vardi ; Major, Dan Thomas and Kamerlin, Shina Caroline Lynn ^LU (2014) In Journal of Molecular Graphics and Modelling 54. p.62-79
- Contribution to journal › Article
Mark Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
Repič, Matej ; Vianello, Robert ; Purg, Miha ; Duarte, Fernanda ; Bauer, Paul ; Kamerlin, Shina C L ^LU and Mavri, Janez (2014) In Proteins 82(12). p.55-3347
- Contribution to journal › Article
Mark Force field independent metal parameters using a nonbonded dummy model
Duarte, Fernanda ; Bauer, Paul ; Barrozo, Alexandre ; Amrein, Beat Anton ; Purg, Miha ; Åqvist, Johan and Kamerlin, Shina Caroline Lynn ^LU (2014) In The Journal of Physical Chemistry Part B 118(16). p.62-4351
- Contribution to journal › Article
Mark Copper-transporting P-type ATPases use a unique ion-release pathway
Andersson, Magnus ; Mattle, Daniel ; Sitsel, Oleg ; Klymchuk, Tetyana ; Nielsen, Anna Marie ; Møller, Lisbeth Birk ; White, Stephen H ; Nissen, Poul and Gourdon, Pontus ^LU (2014) In Nature Structural and Molecular Biology 21(1). p.8-43
- Contribution to journal › Article
Mark Conformational and aggregation properties of the 1-93 fragment of apolipoprotein A-I
Petrlova, Jitka ^LU ; Bhattacherjee, Arnab ^LU ; Boomsma, Wouter ^LU ; Wallin, Stefan ^LU ; Lagerstedt, Jens O ^LU and Irbäck, Anders ^LU (2014) In Protein Science 23(11). p.71-1559
- Contribution to journal › Article
2013
Mark Modeling catalytic promiscuity in the alkaline phosphatase superfamily
Duarte, Fernanda ; Amrein, Beat Anton and Kamerlin, Shina Caroline Lynn ^LU (2013) In Physical chemistry chemical physics : PCCP 15(27). p.77-11160
- Contribution to journal › Article

your query:: Remove keywords: Molecular Dynamics Simulation