Publications

7 results for John D. Chodera

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding
- - Suzanne Ackloo
  - Rima Al-awar
  - et al.
- 2022
- Nature Reviews Chemistry
Review
On the use of experimental observations to bias simulated ensembles
- - Jed W. Pitera
  - John D. Chodera
- 2012
- JCTC
Paper
Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures
- - John D. Chodera
  - William C. Swope
  - et al.
- 2011
- Journal of Chemical Physics
Paper
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics
- - Jan-Hendrik Prinz
  - John D. Chodera
  - et al.
- 2011
- Journal of Chemical Physics
Paper
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics
- - John D. Chodera
  - Nina Singhal
  - et al.
- 2007
- Journal of Chemical Physics
Paper
Long-time protein folding dynamics from short-time molecular dynamics simulations
- - John D. Chodera
  - William C. Swope
  - et al.
- 2006
- Multiscale Modeling and Simulation
Paper
Use 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
Paper