27 citations · 27 across the 2 of their papers we have counts for
Showing 2019Show all
2 papers · 1 filter
q-bio.BM2019
Investigating Active Learning and Meta-Learning for Iterative Peptide Design
Rainier Barrett, Andrew D. White
Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a pro…
physics.chem-ph2019★ 27 cited
Recent Advances in Maximum Entropy Biasing Techniques for Molecular Dynamics
Dilnoza B. Amirkulova, Andrew D. White
This review describes recent advances by the authors and others on the topic of incorporating experimental data into molecular simulations through maximum entropy methods. Methods…