no code implementations • 13 Mar 2021 • Giulia Paiardi, Stefan Richter, Pasqua Oreste, Chiara Urbinati, Marco Rusnati, Rebecca C. Wade
Experiments corroborated the simulation results by showing that heparin inhibits the cleavage of spike by furin by binding to the basic S1/S2 site.
1 code implementation • 19 Jun 2020 • Daria B. Kokha, Bernd Doser, Stefan Richter, Fabian Ormersbach, Xingyi Cheng, Rebecca C. Wade
The combined implementation of RAMD and MD-IFP provides a computationally efficient and freely available workflow that can be applied to hundreds of compounds in a reasonable computational time and will facilitate the use of tauRAMD in drug design.
