FACILITY
DESCRIPTION
The MMC provides the latest computational tools and expertise to
assist investigators in applying molecular modeling techniques to their
research. Commercial modeling software packages such as Insight II,
Cerius2, Quanta from Accelrys and individual software for visualization,
docking, comparative modeling, quantum mechanics (QM), molecular
mechanics (MM), and molecular dynamics (MD) simulation are available.
New additions to our software list are the modules in Cerius2 for Computer
Aided Drug (CADD) design which allow us to find the potential binding sites
of proteins and design new and selective ligands that target those binding
sites. A complete list of available software is listed here.
Computer hardware in MMC includes a Linux cluster of 42 computer
nodes (each node has two 1 GHz Pentium processors with 1 GB of RAM)
and 250 GB Raid 5 disks, Mac G4, Dell PC, and Linux desktop workstations,
and SGI OCTANE2 to run variety of software.
In
addition to access to the hardware and software, the Facility
provides consultative and collaborative assistance in research
efforts. This allows researchers with expertise in biochemistry
and molecular biology but who are unfamiliar with computational
methods to apply these techniques in their research. The facility
staff can provide advice in the design of computational study
approach, instruction in the use of the software and hardware,
and assistance in the interpretation of data.
Hands-on
training in visualization, docking, comparative modeling, MD
calculation etc. will be available upon request.
FEES
FOR SERVICE
The
fees for the Molecular Modeling Facility are effective July
1, 2002.
Physical
access to the MMC workstations and the software is granted on
a yearly subscription fee of $1,000 per lab for Cornell users
and $1,250 for users from off-campus locations. The subscription
price includes use of the facility and all of its software resources
running on workstations.
In-depth,
private consultation is $75/hour. The charge for using the linux
cluster will be based on CPU time/per node. It is 15 cents/hour
per node calculated by the queuing system.
All
users must provide an account to be charged before using the
facility. Signed up time is charged whether or not it is used
unless a replacement user is found.
PROCEDURES
FOR USE OF THE MMC FACILITY
Contact:
Sulin Jiang, Ph.D., Director
(212) 746-6608
suj2004@med.cornell.edu
Schedule:
The facility is open Monday-Friday, 9 AM-5 PM, and after hours
at the discretion of the staff. Scheduling is done by Sulin
Jiang for those needing assistance. Users will be billed for
reserved time unless it is canceled at least one day in advance
or used by another group.
Billing:
Billing will be generated at the end of each month and processed
through the Biochemistry Department.
