- ๐ I am a senior computational chemist, theoretical biophysicist, software engineer, and clinical epidemiologist.
- ๐ Iโm interested in modelling protein folding using Molecular Dynamics, particularly metalloproteases, fibril tissues of the human extracellular matrix, and membrane proteins. I am also interested in the drug discovery epidemiology of real-world electronic healthcare records.
- ๐ฑ Iโm currently Neural Network Potential Molecular Dynamics
- ๐๏ธ I want to collaborate on transmembrane protein modelling using next-generation Molecular Dynamics.
acnash / r_for_orca Goto Github PK
View Code? Open in Web Editor NEWR code used to visualise spectra from the ORCA output file.
License: MIT License