Daria B Kokh

Druggability Assessment in TRAPP Using Machine Learning Approaches

Stefan Richter, Jui-Hung Yuan, Sungho Bosco Han, 2020, J. Chem. Inf. Model..

Modeling and simulation of protein–surface interactions: achievements and challenges

Daria B Kokh, Rebecca C Wade, Musa Ozboyaci, 2016, Quarterly Reviews of Biophysics.

ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent.

Martin Hoefling, Daria B Kokh, Rebecca C Wade, 2010, Journal of chemical theory and computation.

Flexible side chain models improve enrichment rates in in silico screening.

Wolfgang Wenzel, Daria B Kokh, W. Wenzel, 2008, Journal of medicinal chemistry.

Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets.

Friedrich Rippmann, Daria B Kokh, Rebecca C Wade, 2016, Journal of chemical theory and computation.

Docking of ubiquitin to gold nanoparticles.

Luigi Calzolai, Daria B Kokh, Rebecca C Wade, 2012, ACS nano.