Van A Ngo Computational Biophysicist Contact ngoav@ornl.gov | 865.341.1788 All Publications Insight into molecular basis and dynamics of full-length CRaf kinase in cellular signaling mechanisms Stereoselective recognition of morphine enantiomers by μ-opioid receptor Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines Improving Estimation of the Koopman Operator with Kolmogorov–Smirnov Indicator Functions... The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating... Millisecond molecular dynamics simulations of KRas-dimer formation and interfaces... Key Links Curriculum Vitae ORCID GitHub Google Scholar KRas Dimerization Cover of KRas/Raf-RBD on JPCB Compute Work Distribution Function Jarzynski's Equality in Quantum Systems Minh-Adib Estimator + WHAM Ion-protein Polarizable Force Fields A Perspective in Transmembrane Proteins Quantum Effects in Metalloproteins Polarizable Effects in Narrow Channel QMMM Calculations Anionic Lipids and KRas4b Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section Advanced Computing for Life Sciences and Engineering Group