Birgit Schiøtt

发表

A Generic Protocol for Constructing Molecular Models of Nanodiscs in Silico

Lisbeth Ravnkilde Kjølbye, Birgit Schiøtt, 2020 .

Molecular Docking with Ligand Attached Water Molecules

Christian N. S. Pedersen, René Thomsen, Birgit Schiøtt, 2011, J. Chem. Inf. Model..

Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation

Leonardo De Maria, Lisbeth Ravnkilde Kjølbye, Birgit Schiøtt, 2019, J. Chem. Inf. Model..

A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition

Birgit Schiøtt, Xavier Periole, Steffen Sinning, 2018, PLoS Comput. Biol..

Unbiased Simulations Reveal the Inward-Facing Conformation of the Human Serotonin Transporter and Na+ Ion Release

Birgit Schiøtt, Steffen Sinning, Heidi Koldsø, 2011, PLoS Comput. Biol..

A DFT study of solvation effects on the tautomeric equilibrium and catalytic ylide generation of thiamin models

Birgit Schiøtt, Mette Alstrup Lie, B. Schiøtt, 2008, J. Comput. Chem..

General Protocol for Constructing Molecular Models of Nanodiscs

Tsjerk A. Wassenaar, Jesper Ferkinghoff-Borg, Leonardo De Maria, 2021, J. Chem. Inf. Model..

Beneficent and Maleficent Effects of Cations on Bufadienolide Binding to Na+, K+-ATPase

Birgit Schiøtt, Lucy Kate Ladefoged, Natalya U. Fedosova, 2021, J. Chem. Inf. Model..

Network Analysis and Kinetic Clustering Methods Applied to Molecular Dynamics Simulations of Proteins in Complex Environments

Birgit Schiøtt, Nils A. Berglund, Jose C. Flores-Canales, 2021 .

Theoretical Investigation of the Hydride Transfer from Formate to NAD+ and the Implications for the Catalytic Mechanism of Formate Dehydrogenase

Birgit Schiøtt, Ya-Jun Zheng, Thomas C. Bruice, 1998 .

Investigating C99 in Amyloid Formation using Molecular Dynamics: From Simple to Complex Neuronal Models

Birgit Schiøtt, Jenny Pin-Chia Hsu, 2019, Biophysical Journal.

Cofactor activation and substrate binding in pyruvate decarboxylase. Insights into the reaction mechanism from molecular dynamics simulations.

Birgit Schiøtt, Mette Alstrup Lie, Karl Anker Jørgensen, 2005, Biochemistry.

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology

Stefano Vanni, Durba Sengupta, Andreas Heuer, 2018, The Journal of Membrane Biology.

Molecular Dynamics Simulations of Ground and Transition States for the Hydride Transfer from Formate to NAD+ in the Active Site of Formate Dehydrogenase

Birgit Schiøtt, R. A. Torres, T. C. Bruice, 1999 .

Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: a molecular docking study.

Birgit Schiøtt, L. Çelik, B. Schiøtt, 2008, Chemical research in toxicology.

Reaction mechanism of soluble epoxide hydrolase: insights from molecular dynamics simulations.

Birgit Schiøtt, T. C. Bruice, B. Schiøtt, 2002, Journal of the American Chemical Society.

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

Birgit Schiøtt, L. Çelik, B. Schiøtt, 2007, Biochemistry.

Monoamine transporters: insights from molecular dynamics simulations

Birgit Schiøtt, Heidi Koldsø, Lucy Kate Ladefoged, 2015, Front. Pharmacol..

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

Birgit Schiøtt, Thomas Vosegaard, Emad Tajkhorshid, 2008, Biophysical journal.

Properties of an inward-facing state of LeuT: conformational stability and substrate release.

Birgit Schiøtt, Heidi Koldsø, Julie Grouleff, 2015, Biophysical journal.

Protofibrillar Assembly Toward the Formation of Amyloid Fibrils

Birgit Schiøtt, Katrine Kirkeby Skeby, Siewert J. Marrink, 2011 .

Inhibition of plasminogen activator inhibitor-1 binding to endocytosis receptors of the low-density-lipoprotein receptor family by a peptide isolated from a phage display library.

Birgit Schiøtt, Niels Chr Nielsen, N. Nielsen, 2006, The Biochemical journal.

Substrate binding and formation of an occluded state in the leucine transporter.

Birgit Schiøtt, Emad Tajkhorshid, E. Tajkhorshid, 2008, Biophysical journal.