Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering
Publications
32 results for Flaviu Cipcigan
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics
- Payel Das
- Tom Sercu
- et al.
- 2021
- arXiv
Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification
- Patrick W. Simcock
- Maike Bublitz
- et al.
- 2021
- JCTC
Electronic coarse graining: Predictive atomistic modeling of condensed matter
- Flaviu Cipcigan
- Jason Crain
- et al.
- 2019
- Reviews of Modern Physics
Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions
- Flaviu Cipcigan
- Anna Paola Carrieri
- et al.
- 2018
- Journal of Chemical Physics
Structure and hydrogen bonding at the limits of liquid water stability
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2018
- Scientific Reports
High-response piezoelectricity modeled quantitatively near a phase boundary
- Dennis M. Newns
- Marcelo A. Kuroda
- et al.
- 2017
- Applied Physics Letters
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2016
- Journal of Computational Physics
Molecular-Scale Remnants of the Liquid-Gas Transition in Supercritical Polar Fluids
- V. P. Sokhan
- A. Jones
- et al.
- 2015
- Physical Review Letters
Signature properties of water: Their molecular electronic origins
- V. P. Sokhan
- A. Jones
- et al.
- 2015
- PNAS