Author
Los Alamos National LaboratoryORCID 0000-0003-1000-688XUnclaimed ORCID profile · follow to get notified of new preprints
3 papers
Recent·Most cited
Vratin Srivastava, Huanghao Mai, Marcus D. Collins…·Stephanie A. M. Wankowicz
WaterFlow predicts ordered water molecule positions in protein structures with sub-angstrom accuracy, outperforming existing methods and improving drug design and crystallographic refinement.
Nathan Smith, Medhanjali Dasgupta, David C. Wych…·Mark A. Wilson
The paper uses XFEL crystallography to observe conformational changes in an enzyme during catalysis, revealing ionization-linked dynamics that control catalytic activity.
Vesselinova Neda, Boian S. Alexandrov, Michael E. Wall
The paper develops a dynamical model of drug accumulation in bacteria, providing estimates of import/export rates and experimentally testable predictions about drug accumulation dynamics.