From owner-chemistry {*at*} ccl.net Thu Jul 24 16:43:01 2014 From: "Joe Leonard jleonard42 : gmail.com" To: CCL Subject: CCL: Unsolved Problems Message-Id: <-50349-140724162539-14454-363K16slFY08/Y/ryawORQ|,|server.ccl.net> X-Original-From: Joe Leonard Content-Type: multipart/alternative; boundary="Apple-Mail=_A9E82905-96F5-4FE2-A4A5-318090CAE30F" Date: Thu, 24 Jul 2014 16:25:29 -0400 Mime-Version: 1.0 (Mac OS X Mail 7.3 \(1878.6\)) Sent to CCL by: Joe Leonard [jleonard42^^gmail.com] --Apple-Mail=_A9E82905-96F5-4FE2-A4A5-318090CAE30F Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=us-ascii Hmm... How about: - A (docking) scoring function that actually worked - was predictive, = extensible and reproducible - A force field that worked well for both large and small molecules = (separately and in combination) Are these on the level of string theory? No. But there's real, = concrete problems facing industrial (and some academic) researchers that = should be addressed. There are others, but this should get things = started. Joe On Jul 24, 2014, at 3:28 PM, Sebastian Kozuch seb.kozuch:gmail.com = wrote: >=20 > Sent to CCL by: "Sebastian Kozuch" [seb.kozuch|a|gmail.com] > Dear CCL users, > Except for some bashing to a particular computational chemistry = journal, in the last months we have been slow on controversial and/or = philosophical questions (it feels like the double blind reviewing and = the patriarchalization of conferences debates happened ages ago). > So here is a question. It draw my attention that there are lists of = unsolved problems on several topics = (en.wikipedia.org/wiki/List_of_unsolved_problems), including chemistry.=20= >=20 > What would be a List of Unsolved Problems in Theoretical and = Computational Chemistry? >=20 > (Please dont say something obvious like solving the relativistic full = CI of a protein.) >=20 > Best, > Sebastian >=20 >=20 >=20 > -=3D This is automatically added to each message by the mailing script = =3D- > To recover the email address of the author of the message, please = change>=20>=20>=20 > Subscribe/Unsubscribe:=20>=20>=20 > Job: http://www.ccl.net/jobs=20 > Conferences: = http://server.ccl.net/chemistry/announcements/conferences/ >=20>=20>=20>=20 >=20 -- How self-centered do you have to be to tell yourself that someone else's = rights aren't real, but yours are? --Apple-Mail=_A9E82905-96F5-4FE2-A4A5-318090CAE30F Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=us-ascii Hmm... =  How about:

- A (docking) scoring function that = actually worked - was predictive, extensible and = reproducible
- A force field that worked well for both large = and small molecules (separately and in = combination)

Are these on the level of string = theory?  No.  But there's real, concrete problems facing = industrial (and some academic) researchers that should be addressed. =  There are others, but this should get things = started.

Joe

On Jul 24, = 2014, at 3:28 PM, Sebastian Kozuch seb.kozuch:gmail.com <owner-chemistry-.-ccl.net> = wrote:


Sent to CCL by: "Sebastian  Kozuch" = [seb.kozuch|a|gmail.com]
Dear CCL = users,
Except for some bashing to a particular computational = chemistry journal, in the last months we have been slow on controversial = and/or philosophical questions (it feels like the double blind reviewing = and the patriarchalization of conferences debates happened ages = ago).
So here is a question. It draw my attention that there are = lists of unsolved problems on several topics (en.wikiped= ia.org/wiki/List_of_unsolved_problems), including chemistry. =

What would be a List of Unsolved Problems in Theoretical and = Computational Chemistry?

(Please dont say something obvious like = solving the relativistic full CI of a = protein.)

Best,
Sebastian



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How self-centered do you have to be = to tell yourself that someone else's rights aren't real, but = yours are?



= --Apple-Mail=_A9E82905-96F5-4FE2-A4A5-318090CAE30F--