• Publications
  • Influence
Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent
The millisecond time scale needed for molecular dynamics simulations to approach the quantitative study of protein folding is not yet routine. One approach to extend the simulation time scale is toExpand
  • 113
  • 1
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Slow-onset enzyme inhibitors are the subject of considerable interest as an approach to increasing the potency of pharmaceutical compounds by extending the residence time of the inhibitor on theExpand
  • 17
Revista de la Sociedad Geológica de España 27 ( 1 ) BIOSTRATIGRAPHICAND PETROGRAPHIC STUDYOFTHE OLIGOCENE-LOWERMIOCENE SUCCESSIONS OFTHE EXTERNAL OCEANIC UNITS IN THEAPENNINESAND SICILIAN MAGHREBIDES
Biostratigraphic and petrographic studies on carbonate turbidites of the Apenninic and Sicilian Maghrebian tectonic units derived from the Lucanian and Maghrebian Flysch Oceans, respectively,Expand
Simulating Protein and Nucleic Acid Dynamics on the Microsecond to Millisecond Timescale
TLDR
We present the application of our newly developed implicit solvent model and physics-based force field, with application to unraveling puzzles in protein and nucleic acid folding. Expand