Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting

por Margreitter, Christian, Oostenbrink, Chris
Publicado 2016

Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting

por Margreitter, Christian, Oostenbrink, Chris
Publicado 2018

Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications

por Margreitter, Christian, Petrov, Drazen, Zagrovic, Bojan
Publicado 2013

Lipid Head Group Parameterization for GROMOS 54A8: A Consistent Approach with Protein Force Field Description

por Marzuoli, Irene, Margreitter, Christian, Fraternali, Franca
Publicado 2019

Antibody humanization by molecular dynamics simulations—in‐silico guided selection of critical backmutations

por Margreitter, Christian, Mayrhofer, Patrick, Kunert, Renate, Oostenbrink, Chris
Publicado 2016

A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications

por Petrov, Drazen, Margreitter, Christian, Grandits, Melanie, Oostenbrink, Chris, Zagrovic, Bojan
Publicado 2013

UDP-N-acetyl-α-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase from the snail Biomphalaria glabrata – structural reflections

por Turupcu, Aysegül, Poliak, Peter, Margreitter, Christian, Oostenbrink, Chris, Staudacher, Erika
Publicado 2019

Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design

por Kwapien, Karolina, Nittinger, Eva, He, Jiazhen, Margreitter, Christian, Voronov, Alexey, Tyrchan, Christian
Publicado 2022

BRepertoire: a user-friendly web server for analysing antibody repertoire data

por Margreitter, Christian, Lu, Hui-Chun, Townsend, Catherine, Stewart, Alexander, Dunn-Walters, Deborah K, Fraternali, Franca
Publicado 2018

Automated relative binding free energy calculations from SMILES to ΔΔG

por Moore, J. Harry, Margreitter, Christian, Janet, Jon Paul, Engkvist, Ola, de Groot, Bert L., Gapsys, Vytautas
Publicado 2023

Correction: Tissue-specific shaping of the TCR repertoire and antigen specificity of iNKT cells

por Jimeno, Rebeca, Lebrusant-Fernandez, Marta, Margreitter, Christian, Lucas, Beth, Veerapen, Natacha, Besra, Gurdyal S, Fraternali, Franca, Spencer, Jo, Anderson, Graham, Barral, Patricia
Publicado 2020

Tissue-specific shaping of the TCR repertoire and antigen specificity of iNKT cells

por Jimeno, Rebeca, Lebrusant-Fernandez, Marta, Margreitter, Christian, Lucas, Beth, Veerapen, Natacha, Kelly, Gavin, Besra, Gurdyal S, Fraternali, Franca, Spencer, Jo, Anderson, Graham, Barral, Patricia
Publicado 2019

DockStream: a docking wrapper to enhance de novo molecular design

por Guo, Jeff, Janet, Jon Paul, Bauer, Matthias R., Nittinger, Eva, Giblin, Kathryn A., Papadopoulos, Kostas, Voronov, Alexey, Patronov, Atanas, Engkvist, Ola, Margreitter, Christian
Publicado 2021

Pandemic, Epidemic, Endemic: B Cell Repertoire Analysis Reveals Unique Anti-Viral Responses to SARS-CoV-2, Ebola and Respiratory Syncytial Virus

por Stewart, Alexander, Sinclair, Emma, Ng, Joseph Chi-Fung, O’Hare, Joselli Silva, Page, Audrey, Serangeli, Ilaria, Margreitter, Christian, Orsenigo, Federica, Longman, Katherine, Frampas, Cecile, Costa, Catia, Lewis, Holly-May, Kasar, Nora, Wu, Bryan, Kipling, David, Openshaw, Peter JM, Chiu, Christopher, Baillie, J Kenneth, Scott, Janet T., Semple, Malcolm G., Bailey, Melanie J., Fraternali, Franca, Dunn-Walters, Deborah K.
Publicado 2022