I need to calculate the relevant descriptor (electrostatic potential, hydrophobicity…) of artificial amino acids.
Dear Frederic,
your question must be slight rewrited. POURQUOI (WHY) ??
Please give infos about the kind of artificial amino acids (Not the name of artificial amino acids if it is secret prior to publication).
The wished descriptors can be calculated with software like ACD labs (log P ....) and various mol. modeling software (electrostatic potential)
P.e. hydrophobicity is related to the structure and to the substituents of your amino acids .
Please read this link :
Hydrophobicity scales and computational techniques for detecting amphipathic structures in proteins
http://www.sciencedirect.com/science/article/pii/0022283687901896
you can try to apply these techniques to you artificial amino acids.
good luck
Jean-Rene alias JRG
- Badges
- Science topic
- Similar topics
- Computer Science and Engineering
- Bioinformatics