Blind protein structure prediction using accelerated free-energy simulations
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2016
- Science Advances
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9 results for Ken A. Dill
Even with nonnative interactions, the updated folding transition states of the homologs Proteins G & L are extensive and similar
- Michael C. Baxa
- Wookyung Yu
- et al.
- 2015
- PNAS
Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX
- Joseph A. Morrone
- Alberto Perez
- et al.
- 2017
- JCTC
Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular Dynamics
- Joseph A. Morrone
- Alberto Perez
- et al.
- 2017
- JCTC
Accelerating physical simulations of proteins by leveraging external knowledge
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2017
- WIREs Computational Molecular Science
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
Long-time protein folding dynamics from short-time molecular dynamics simulations
- John D. Chodera
- William C. Swope
- et al.
- 2006
- Multiscale Modeling and Simulation
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
The Interphase in Lamellar Semicrystalline Polymers
- Paul J. Flory
- Do Y. Yoon
- et al.
- 2002
- Macromolecules