Dear Clasp developers,
Has anyone thought about using Clasp in the development of protein kinase inhibitors that bind at protein-protein interfaces?
Kaya
William,
It is one of the purposes of CANDO - a Chemistry package that runs on top of Clasp to develop molecules (protein kinase inhibitors included) to bind and disrupt protein-protein interfaces.
CANDO (Computer Aided Nanostructure Design and Optimization) is a large collection of functions and classes that allow the programmer to build and design molecules. It runs within Clasp. CANDO is written in C++ and in Clasp Common Lisp.
Clasp is a Common Lisp compiler that uses LLVM as its backend and interoperates with C++.
Clasp is under active development and is available at github.com/drmeister/clasp http://github.com/drmeister/clasp
CANDO is not yet available on github but will be as soon as I get it to do something useful again (build molecules). CANDO is code that I wrote years ago and it used to be exposed to Python. Then I got fed up with Python and decided to start a little side project to develop a better language (Clasp) to support CANDO.
Best,
.Chris.
On Jul 5, 2015, at 11:27 AM, William Erbil <wkerbil@umn.edu mailto:wkerbil@umn.edu> wrote:
Dear Clasp developers,
Has anyone thought about using Clasp in the development of protein kinase inhibitors that bind at protein-protein interfaces?
Kaya
Dear Christian,
Thank you for your reply. I am very interested in learning about your work with p53-MDM2. I read the PLOS One paper the other day and really like the idea. I am wondering, for CDK2-Cyclin A:
http://www.rcsb.org/pdb/explore/explore.do?structureId=1FIN
How big do you think the synthetic ligand needs to be to block the interaction?
Kaya
On Mon, Jul 6, 2015 at 10:05 AM, Christian Schafmeister < chris.schaf@verizon.net> wrote:
William,
It is one of the purposes of CANDO - a Chemistry package that runs on top of Clasp to develop molecules (protein kinase inhibitors included) to bind and disrupt protein-protein interfaces.
CANDO (Computer Aided Nanostructure Design and Optimization) is a large collection of functions and classes that allow the programmer to build and design molecules. It runs within Clasp. CANDO is written in C++ and in Clasp Common Lisp.
Clasp is a Common Lisp compiler that uses LLVM as its backend and interoperates with C++.
Clasp is under active development and is available at github.com/drmeister/clasp
CANDO is not yet available on github but will be as soon as I get it to do something useful again (build molecules). CANDO is code that I wrote years ago and it used to be exposed to Python. Then I got fed up with Python and decided to start a little side project to develop a better language (Clasp) to support CANDO.
Best,
.Chris.
On Jul 5, 2015, at 11:27 AM, William Erbil wkerbil@umn.edu wrote:
Dear Clasp developers,
Has anyone thought about using Clasp in the development of protein kinase inhibitors that bind at protein-protein interfaces?
Kaya
-
Christian Schafmeister -
William Erbil