T-cell epitope vaccine design by immunoinformatics

por Patronov, Atanas, Doytchinova, Irini
Publicado 2013

Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach

por Patronov, Atanas, Dimitrov, Ivan, Flower, Darren R, Doytchinova, Irini
Publicado 2011

Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study

por Patronov, Atanas, Dimitrov, Ivan, Flower, Darren R, Doytchinova, Irini
Publicado 2012

Immunoinformatic Docking Approach for the Analysis of KIR3DL1/HLA-B Interaction

por Grifoni, Alba, Montesano, Carla, Patronov, Atanas, Colizzi, Vittorio, Amicosante, Massimo
Publicado 2013

Transformer-based molecular optimization beyond matched molecular pairs

por He, Jiazhen, Nittinger, Eva, Tyrchan, Christian, Czechtizky, Werngard, Patronov, Atanas, Bjerrum, Esben Jannik, Engkvist, Ola
Publicado 2022

SMILES-based deep generative scaffold decorator for de-novo drug design

por Arús-Pous, Josep, Patronov, Atanas, Bjerrum, Esben Jannik, Tyrchan, Christian, Reymond, Jean-Louis, Chen, Hongming, Engkvist, Ola
Publicado 2020

A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants

por Eggenschwiler, Reto, Patronov, Atanas, Hegermann, Jan, Fráguas-Eggenschwiler, Mariane, Wu, Guangming, Cortnumme, Leon, Ochs, Matthias, Antes, Iris, Cantz, Tobias
Publicado 2019

Human-in-the-loop assisted de novo molecular design

por Sundin, Iiris, Voronov, Alexey, Xiao, Haoping, Papadopoulos, Kostas, Bjerrum, Esben Jannik, Heinonen, Markus, Patronov, Atanas, Kaski, Samuel, Engkvist, Ola
Publicado 2022

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

Multiple sclerosis: Molecular mimicry of an antimyelin HLA class I restricted T-cell receptor

por Rühl, Geraldine, Niedl, Anna G., Patronov, Atanas, Siewert, Katherina, Pinkert, Stefan, Kalemanov, Maria, Friese, Manuel A., Attfield, Kathrine E., Antes, Iris, Hohlfeld, Reinhard, Dornmair, Klaus
Publicado 2016