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  1. Role of bacterial RNA polymerase gate opening dynamics in DNA loading and antibiotics inhibition elucidated by quasi-Markov State Model
  2. TAPS: A traveling-salesman based automated path searching method for functional conformational changes of biological macromolecules
  3. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions
  4. Constructing kinetic models to elucidate structural dynamics of a complete RNA polymerase II elongation cycle