From owner-chemistry%!at!%ccl.net Thu Nov 27 11:34:00 2008 From: "Jean-Christophe Poully poully.,,.galilee.univ-paris13.fr" To: CCL Subject: CCL: Conformational searches with right Ramachandran angles Message-Id: <-38192-081127111033-28476-0ty7gEKGZISni6/EAg+nZw,,server.ccl.net> X-Original-From: Jean-Christophe Poully Content-Type: multipart/alternative; boundary="=====================_198473968==.ALT" Date: Thu, 27 Nov 2008 17:10:26 +0100 Mime-Version: 1.0 Sent to CCL by: Jean-Christophe Poully [poully()galilee.univ-paris13.fr] --=====================_198473968==.ALT Content-Type: text/plain; charset="iso-8859-1"; format=flowed Content-Transfer-Encoding: quoted-printable Dear all, I would like to know if there is one software=20 that can perform accurate conformational searches=20 on peptides containing at least 5 amino acids and=20 that have the ability to speed up the calculation=20 by scanning only Ramachandran angles compatible=20 with typical structures like alpha-helix and=20 beta-sheet... Most of the conformational search=20 softwares do a Monte-Carlo or systematic search,=20 but the majority of the structures found have not=20 allowed Ramachandran angles. Thank you very much by advance! Jean-Christophe Poully Doctorant dans l'=E9quipe AMIBES Laboratoire de Physique des Lasers Institut Galil=E9e 99, avenue JB Cl=E9ment 93430 VILLETANEUSE Bureau B002 0149403853=20 --=====================_198473968==.ALT Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Dear all,

I would like to know if there is one software that can perform accurate conformational searches on peptides containing at least 5 amino acids and that have the ability to speed up the calculation by scanning only Ramachandran angles compatible with typical structures like alpha-helix and beta-sheet... Most of the conformational search softwares do a Monte-Carlo or systematic search, but the majority of the structures found have not allowed Ramachandran angles. Thank you very much by advance!



Jean-Christophe Poully

Doctorant dans l'=E9quipe AMIBES
Laboratoire de Physique des Lasers
Institut Galil=E9e
99, avenue JB Cl=E9ment
93430 VILLETANEUSE

Bureau B002
0149403853 --=====================_198473968==.ALT--