102 citations · 123 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2020★ 102 cited
End-to-End Differentiable Molecular Mechanics Force Field Construction
Yuanqing Wang, Josh Fass, Benjamin Kaminow +6
Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of appli…
cond-mat.stat-mech2011★ 21 cited
Bayesian hidden Markov model analysis of single-molecule force spectroscopy: Characterizing kinetics under measurement uncertainty
John D. Chodera, Phillip Elms, Frank Noé +6
Single-molecule force spectroscopy has proven to be a powerful tool for studying the kinetic behavior of biomolecules. Through application of an external force, conformational stat…