Chemical and Biological Systems Simulation Lab: a place where we use theoretical and computational methods to solve problems in chemistry, biology and physics.
The Interplay of Conjugation and Metal Coordination in Tuning the Electron Transfer Abilities of NTA-Graphene Based Interfaces: great work by Magda and Silvio. Already published, see mdpi.com/1422-0067/23/1/543@IJMS_MDPI
Molecular mechanism of direct electron transfer in the robust cytochrome-functionalised graphene nanosystem - now published in RSC Advances pubs.rsc.org/en/content/arti…
Our OA interdisciplinary work just published in Nanoscale that brings us much closer to the development of viable biomolecular nanodevices. Photosynthetic Z-scheme recreated in photoactive terpyridyne ligand-cytochrome bio-organic interface! lnkd.in/erXfqSn
Optimizing heme orientation to enhance direct electron transfer in bioelectrodes; a just published study from a great collaboration with @Joanna_Kargul, @ELSchemistry: sciencedirect.com/science/ar…
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Trzaskowski Lab of Chemical Systems Simulations retweeted
PLpro is a crucial enzyme of SARS-CoV-2. Targeting this protein is a great chance to fight the coronavirus. We have just published the first open-access database of potential PLpro inhibitors: plpro-inhibitors.cent.uw.edu… and the article: mdpi.com/1422-0067/22/8/3957 about its preparation.