Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering
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47 results for Jason Crain
Tuneable poration: host defense peptides as sequence probes for antimicrobial mechanisms
- Marc-Philipp Pfeil
- Alice L. B. Pyne
- et al.
- 2018
- Scientific Reports
Structure and hydrogen bonding at the limits of liquid water stability
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2018
- Scientific Reports
Accelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances
Modulation of Antimicrobial Peptide Potency in Stressed Lipid Bilayers
- Valeria Losasso
- Ya Wen Hsiao
- et al.
- 2019
- Physical Review Letters
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
Electronically coarse-grained model for water
- Andrew P. Jones
- F.S. Cipcigan
- et al.
- 2013
- Physical Review Letters
Nanoscale imaging reveals laterally expanding antimicrobial pores in lipid bilayers
- Paulina D. Rakowska
- Haibo Jiang
- et al.
- 2013
- PNAS
Engineering monolayer poration for rapid exfoliation of microbial membranes
- Alice L. B. Pyne
- Marc-Philipp Pfeil
- et al.
- 2017
- Chemical Science