From e5ebc3dcbb28e33af2e71b8a49472fe5f211596e Mon Sep 17 00:00:00 2001 From: adavtyan Date: Mon, 16 Mar 2015 19:36:34 -0500 Subject: [PATCH] Create README.md --- README.md | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 README.md diff --git a/README.md b/README.md new file mode 100644 index 0000000..03ed6aa --- /dev/null +++ b/README.md @@ -0,0 +1,9 @@ +The AWSEM (Associated memory, Water mediated, Structure and Energy Model) protein simulation code, based on a three-bead per amino-acid residue representation, has been written in C++ by Aram Davtyan, a graduate student in Professor Garegin Papoian's group at the University of Maryland. It is primarily based on the Associated Memory Hamiltonian (AMH) developed over many years by Professor Peter Wolynes and his group at the University of Illinois at Urbana-Champaign and University of California in San Diego. The contact and water-mediated interactions were developed by Prof. Papoian, Dr. Ulander, and Prof. Wolynes in 2004, and the revised AMH was renamed AMW. The original AMH/AMW programs were written in Fortran by many people, including ..., Michael Eastwood, Michael Prentiss, Garegin Papoian, Johan Ulander, Chenghang Zong,... + +
+ +To cite AWSEM and for a complete description of the forcefield please refer to of the following paper and its supporting information.
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+Aram Davtyan, Nicholas P. Schafer, Weihua Zheng, Cecilia Clementi, Peter G. Wolynes, and Garegin A. Papoian, "AWSEM-MD: Protein Structure Prediction Using Coarse-Grained Physical Potentials and Bioinformatically Based Local Structure Biasing", The Journal of Physical Chemistry B 2012 116 (29), 8494-8503
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+http://http://pubs.acs.org/doi/abs/10.1021/jp212541y