For dynamics, you have probably already found VMD which is fairly easy to get started with.
Sent from Yahoo Mail on Android On Mon, 1 Jul 2019 at 16:17, Mirella Vivoli Vega<mirella.viv...@unifi.it> wrote: Dear CCP Fo(r)lks, I wonder if someone could help me about prediction servers or programs or molecular dynamics I could use/run to compare the wild type protein structure and a mutant (I do not have the structure for the mutant), with/without substrate. The mutation (Asparagine to Aspartate) enhanced the hydrolysis of cellulosic substrates, increased the protein thermal stability, without affecting the protein fold. It would be interesting if there is a way to see the structural differences in the atomic and interatomic interactions determining the increased activity we have observed. I really appreciate your comments, help and opinions. Cheers, Mirella -- Mirella Vivoli Vega, PhD Senior Postdoctoral Fellow Department of Experimental and Clinical Biomedical Sciences, University of Florence,Viale Morgagni 50, 50134, Florence, Italy email: mirella.viv...@unifi.it "I do not want to believe, I want to know"[c. Sagan] ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
