Screening of Natural Products Targeting SARS-CoV-2–ACE2 Receptor Interface – A MixMD Based HTVS Pipeline

by Krishnasamy Gopinath, Elmeri M. Jokinen, Sami T. Kurkinen, Olli T. Pentikäinen
Published 2020-11-01

A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening

by Mira Ahinko, Sami T. Kurkinen, Sanna P. Niinivehmas, Olli T. Pentikäinen, Pekka A. Postila
Published 2019-06-01

Improving Docking Performance Using Negative Image-Based Rescoring

by Sami T. Kurkinen, Sanna Niinivehmas, Mira Ahinko, Sakari Lätti, Olli T. Pentikäinen, Olli T. Pentikäinen, Pekka A. Postila
Published 2018-03-01