CCL: Force Field Benchmarks for Proteins, RNA, DNA and Lipids
- From: "Jim Kress" <jimkress35^^gmail.com>
- Subject: CCL: Force Field Benchmarks for Proteins, RNA, DNA and
Lipids
- Date: Wed, 18 Mar 2015 16:34:52 -0400
Sent to CCL by: "Jim Kress" [jimkress35%gmail.com]
Recently, I've been working with colleagues to develop a new force field for
biochemical/ biophysical application - specifically proteins, RNA, DNA and
Lipids. I've been seeking a testing/ validation suite for these type of
force fields with no success.
I recently noticed this publication:
"Force Field Benchmark of Organic Liquids: Density, Enthalpy of
Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility,
Volumetric Expansion Coefficient, and Dielectric Constant", by Carl
Caleman,
Paul J. van Maaren, Minyan Hong, Jochen S. Hub, Luciano T. Costa, David van
der Spoel , J. Chem. Theory Comput., 2012, 8 (1), pp 61-74
Can anyone point me to a similar analysis of force fields for Proteins, RNA,
DNA and Lipids?
Thanks.
Jim
James Kress Ph.D., President
The KressWorks Foundation C
An IRS Approved 501 (c)(3) Charitable, Nonprofit Organization
"Improving Lives One Atom At A Time" TM
(248) 605-8770
Learn More and Donate At:
http://www.kressworks.org
Confidentiality Notice | This e-mail message, including any attachments, is
for the sole use of the intended recipient(s) and may contain confidential
or proprietary information. Any unauthorized review, use, disclosure or
distribution is prohibited. If you are not the intended recipient,
immediately contact the sender by reply e-mail and destroy all copies of the
original message.