Publications

Prioritisation of Compounds for 3CL^pro Inhibitor Development on SARS-CoV-2 Variants, Molecules, 18 May 2021
This paper was written on results of COVID.SI project prior to the experiments held in SiDock@home.

Optimization of the Workflow in a BOINC-Based Desktop Grid for Virtual Drug Screening, In: Voevodin, V., Sobolev, S., Yakobovskiy, M., Shagaliev, R. (eds) Supercomputing. RuSCDays 2022. Lecture Notes in Computer Science, vol 13708. Springer, Cham. Pp. 686-698.
Bioinformatic and MD Analysis of N501Y SARS-CoV-2 (UK) Variant, In: Byrski A., Czachórski T., Gelenbe E., Grochla K., Murayama Y. (eds) Computer Science Protecting Human Society Against Epidemics. ANTICOVID 2021. IFIP Advances in Information and Communication Technology, vol. 616. Springer, Cham. Pp. 1-13.
Volunteer computing project SiDock@home for virtual drug screening against SARS-CoV-2, In: Byrski A., Czachórski T., Gelenbe E., Grochla K., Murayama Y. (eds) Computer Science Protecting Human Society Against Epidemics. ANTICOVID 2021. IFIP Advances in Information and Communication Technology, vol. 616. Springer, Cham. Pp. 23-34.
Performance estimation of a BOINC-based Desktop Grid for large-scale molecular docking, In: Malyshkin V. (eds) Parallel Computing Technologies. PaCT 2021. Lecture Notes in Computer Science, vol. 12942. Springer, Cham. Pp. 348-356.
Toward crowdsourced drug discovery: start-up of the volunteer computing project SiDock@home, In: Voevodin, V., Sobolev, S. (eds) Supercomputing. RuSCDays 2021. Communications in Computer and Information Science, vol 1510. Springer, Cham. Pp. 513-524.