Basically, we can use values of 2-4 as interior dielectric constant measured for protein powders. Does this also hold for short peptides (10 amino acids) where most of the residues are solvent exposed?
Dear Houcemeddine
Please see the attached, paper on this subject.
It is known that MM-PBSA overestimates the electrostatic binding energy. For such reasons I don't really expect a rigorous behavior of the method in the case of metalloprotein bounded zinc ion,...
11 December 2013 584 1 View
I'm thinking of running a long molecular dynamics simulation for a peptide of 36 amino acids. I generated 10 homology models of the peptide with high quality metrics. I am confused between two...
03 April 2013 4,737 19 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
Hi all, I am validating a polyclonal antibody raised against human ANT4, through WB and ICC. In most of my controls, the antibody shows very little off-target binding, but when I pre-incubate the...
03 March 2021 5,999 3 View
I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...
03 March 2021 3,661 2 View