User profiles for B. Schiott

Birgit Schiøtt

Professor of Chemistry, Aarhus University
Verified email at chem.au.dk
Cited by 5586

[HTML][HTML] The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations

J Grouleff, SJ Irudayam, KK Skeby, B Schiøtt - Biochimica et Biophysica …, 2015 - Elsevier
The plasma membrane, which encapsulates human cells, is composed of a complex mixture
of lipids and embedded proteins. Emerging knowledge points towards the lipids as having …

[HTML][HTML] P-type ATPases as drug targets: tools for medicine and science

…, C Olesen, JP Andersen, B Vilsen, B Schiøtt… - … et Biophysica Acta (BBA …, 2009 - Elsevier
… Following this scheme, a ions of species X and b ions of species Y are transported out of
and into the cytoplasm of the cell, respectively. The two states represented in boxes correspond …

[HTML][HTML] Ion pathways in the sarcoplasmic reticulum Ca2+-ATPase

…, H Poulsen, L Thøgersen, C Olesen, B Schiøtt… - Journal of Biological …, 2013 - ASBMB
The sarco/endoplasmic reticulum Ca 2+ -ATPase (SERCA) is a transmembrane ion
transporter belonging to the P II -type ATPase family. It performs the vital task of re-sequestering …

On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions

B Schiøtt, BB Iversen, GKH Madsen… - Proceedings of the …, 1998 - National Acad Sciences
The electronic nature of low-barrier hydrogen bonds (LBHBs) in enzymatic reactions is
discussed based on combined low temperature neutron and x-ray diffraction experiments and on …

[HTML][HTML] Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics study

L Thøgersen, B Schiøtt, T Vosegaard, NC Nielsen… - Biophysical journal, 2008 - cell.com
We present a simulation study where different resolutions, namely coarse-grained (CG) and
all-atom (AA) molecular dynamics simulations, are used sequentially to combine the long …

Enantioselective hydrosilylation of ketones with a chiral titanocene catalyst

MB Carter, B Schiott, A Gutierrez… - Journal of the American …, 1994 - ACS Publications
… Percent ee determined by GC analysis using a cyclodex-B column. * Percent ee determined
by HPLC analysis using a Chiralcel OD HPLC column of the naphthoyl ester. d Percent ee …

[HTML][HTML] Mutual adaptation of a membrane protein and its lipid bilayer during conformational changes

Y Sonntag, M Musgaard, C Olesen, B Schiøtt… - Nature …, 2011 - nature.com
… (b) Average protein structure together with a blue surface representing the average … in a
and b. Discrepancies are evident. (d) Snapshot after 50 ns of the MD simulation described in b. …

[HTML][HTML] Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter

L Bavnhøj, JH Driller, L Zuzic, AD Stange, B Schiøtt… - Nature Plants, 2023 - nature.com
b, Results from five independent MD simulation repeats each for Asp152(H) and Asp152(−),
starting from the identified stable binding pose for sucrose. The repeats show consistent …

Binding of serotonin to the human serotonin transporter. Molecular modeling and experimental validation

…, MS Møller, M Bols, O Wiborg, B Schiøtt - Journal of the …, 2008 - ACS Publications
B only two (B-1 and B-3) allow Asp98 to interact with Na1 as suggested by Yamashita et al.
Since B-3 has a lower DOPE score than B… cavities of the two models, B-3 was chosen for the …

Conformational dynamics of the estrogen receptor α: molecular dynamics simulations of the influence of binding site structure on protein dynamics

L Celik, JDD Lund, B Schiøtt - Biochemistry, 2007 - ACS Publications
We present 158 ns of unrestrained all-atom molecular dynamics (MD) simulations of the
human estrogen receptor α ligand binding domain (ERα LBD) sampling the conformational …