Accelerating physical simulations of proteins by leveraging external knowledge
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2017
- WIREs Computational Molecular Science
Publications
26 results for Joseph Morrone
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
Blind protein structure prediction using accelerated free-energy simulations
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2016
- Science Advances
Molecular dynamics with multiple time scales: How to avoid pitfalls
- Joseph A. Morrone
- Ruhong Zhou
- et al.
- 2010
- JCTC
Long range interactions on wires: A reciprocal space based formalism
- Peter Mináry
- Joseph A. Morrone
- et al.
- 2004
- Journal of Chemical Physics