Emanuel Karl Peter

3 Questions 10 Answers 0 Followers

Questions related from Emanuel Karl Peter

Are free energies from molecular dynamics simulations with restraints or constraints reliable ?

Hello. I have a question regarding thermodynamic integration schemes based on a linear coupling parameter and subsequent integration over the potential energy gradient to determine free energies...

04 June 2015 361 5 View

Is there any reliable (and up to date) secondary structure prediction software that is available as source code?

Can anyone give me suggestions?

10 March 2014 2,785 1 View

SARS-CoV-2 blocked by Clinically Proven Protease Inhibitor

Hi, That looks very promising and soon we can get back to business as usual !? I recently found a publication online by Hoffmann et al. which appeared on March 5, 2020 in the journal Cell :...

01 January 1970 5,939 3 View