All Stories

  1. Proteasome Inhibition Contributed to the Cytotoxicity of Arenobufagin after Its Binding with Na, K-ATPase in Human Cervical Carcinoma HeLa Cells
  2. Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models
  3. Characterization of the Three-Dimensional Free Energy Manifold for the Uracil Ribonucleoside from Asynchronous Replica Exchange Simulations
  4. Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field
  5. Mechanistic Insights into RNA Transphosphorylation from Kinetic Isotope Effects and Linear Free Energy Relationships of Model Reactions
  6. Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods
  7. Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions
  8. Roadmaps through Free Energy Landscapes Calculated Using the Multidimensional vFEP Approach
  9. Linear free energy relationships in RNA transesterification: theoretical models to aid experimental interpretations
  10. A Variational Linear-Scaling Framework to Build Practical, Efficient Next-Generation Orbital-Based Quantum Force Fields