Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
- Michael R. Shirts
- Jed W. Pitera
- et al.
- 2003
- Journal of Chemical Physics
Paper
Publications
64 results for Jed Pitera
Understanding folding and design: Replica-exchange simulations of "Trp-cage" miniproteins
- Jed W. Pitera
- William Swope
- 2003
- PNAS
PaperBlue Matter, an application framework for molecular simulation on Blue Gene
- B.G. Fitch
- R.S. Germain
- et al.
- 2003
- Journal of Parallel and Distributed Computing
PaperBlue Gene: A vision for protein science using a petaflop supercomputer
- F.E. Allen
- G. Almasi
- et al.
- 2001
- IBM Systems Journal
Paper