Ruxi Qi

Molecular Biology · 2018

A researcher in the Science corpus: 1 paper; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

Whom Ruxi Qi trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

  1. Charles H. Bennett

Papers from Ruxi Qi's perspective

Ordered by how strongly the researchers Ruxi Qi trusts endorse each paper. Same corpus, a different order for every researcher.

  1. MMPBSA.py: An Efficient Program for End-State Free Energy Calculations. (Journal of Chemical Theory and Computation)
  2. Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (Accounts of Chemical Research)
  3. Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf (Journal of Computational Chemistry)
  4. Efficient estimation of free energy differences from Monte Carlo data
  5. Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking. (Physical Chemistry, Chemical Physics - PCCP)
  6. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities (Expert Opinion on Drug Discovery)
  7. Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set. (Physical Chemistry, Chemical Physics - PCCP)
  8. Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy. (Journal of the American Chemical Society)
  9. g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations (Journal of Chemical Information and Modeling)
  10. Accelerated Poisson–Boltzmann calculations for static and dynamic systems (Journal of Computational Chemistry)

Their papers