publication venue for
- Atomistic Characterization of Gramicidin Channel Formation.. 17. 2020
- Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins.. 16. 2020
- Quantitative Characterization of Protein-Lipid Interactions by Free Energy Simulation between Binary Bilayers.. 15. 2019
- How the Ligand-Induced Reorganization of Protein Internal Energies Is Coupled to Conformational Events.. 14. 2018
- Characterizing Residue-Bilayer Interactions Using Gramicidin A as a Scaffold and Tryptophan Substitutions as Probes.. 13. 2017
- The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems.. 12. 2016
- Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins.. 12. 2016
- Mechanisms of Differential Allosteric Modulation in Homologous Proteins: Insights from the Analysis of Internal Dynamics and Energetics of PDZ Domains.. 10. 2014
- Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations.. 10. 2014
- Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases.. 9. 2013
- Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic Dynamics.. 8. 2012
- Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models.. 6. 2010
- Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations.. 2. 2006