Comparison of computational approaches for predicting the effects of missense mutations on p53 function
- Lillian T. Chong
- Jed W. Pitera
- et al.
- 2009
- Journal of Molecular Graphics and Modelling
Paper
Publications
64 results for Jed Pitera
Current developments in and importance of high-performance computing in drug discovery
- Jed W. Pitera
- 2009
- Current Opinion in Drug Discovery and Development
ReviewObservation of noncooperative folding thermodynamics in simulations of 1BBL
- Jed W. Pitera
- William C. Swope
- et al.
- 2008
- Biophysical Journal
PaperBlue matter: Scaling of N-body simulations to one atom per node
- Blake G. Fitch
- Aleksandr Rayshubskiy
- et al.
- 2008
- IBM J. Res. Dev
ReviewSoft patchy nanoparticles from solution-phase self-assembly of binary diblock copolymers
- Goundla Srinivas
- Jed W. Pitera
- 2008
- Nano Letters
PaperInterfacial fluctuations of block copolymers: A coarse-grain molecular dynamics simulation study
- Goundla Srinivas
- William C. Swope
- et al.
- 2007
- Journal of Physical Chemistry B
PaperRapid directed self assembly of lamellar microdomains from a block copolymer containing hybrid
- Joy Y. Cheng
- Jed Pitera
- et al.
- 2007
- Applied Physics Letters
PaperLong-time protein folding dynamics from short-time molecular dynamics simulations
- John D. Chodera
- William C. Swope
- et al.
- 2006
- Multiscale Modeling and Simulation
PaperUse of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations
- John D. Chodera
- William C. Swope
- et al.
- 2006
- JCTC
PaperParallel implementation of the Replica Exchange Molecular Dynamics Algorithm on Blue Gene/L
- M. Eleftheriou
- A. Rayshubski
- et al.
- 2006
- IPDPS 2006
Conference paper