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Calculation of the thermal conductivity of human serum albumin (HSA) with equilibrium/non-equilibrium molecular dynamics approaches.

Abbas Zarenezhad AshkezariNitasha Adavoodi JolfaeiNiyusha Adavoodi JolfaeiMaboud HekmatifarDavood ToghraieRoozbeh SabetvandSara Rostami
Published in: Comput. Methods Programs Biomed. (2020)
Keyphrases
  • molecular dynamics
  • thermal conductivity
  • data analysis
  • response time