Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening

por Ain, Qurrat Ul, Aleksandrova, Antoniya, Roessler, Florian D., Ballester, Pedro J.
Publicado 2015

Molecular dynamics simulations and docking of non-nucleoside reverse transcriptase inhibitors (NNRTIs): a possible approach to personalized HIV treatment

por Roessler, Florian D, Korb, Oliver, Bender, Andreas, Maentele, Werner, Bond, Peter J
Publicado 2012