Listar QFA_Articles por fuente "Physical Chemistry Chemical Physics, 2012, 14"

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    • closedAccess   Theoretical studies of HIV-1 reverse transcriptase inhibition 

      Świderek, Katarzyna; Martí Forés, Sergio; Moliner, Vicent Royal Society of Chemistry (2012)
      Computational methods for accurately calculating the binding affinity of a ligand for a protein play a pivotal role in rational drug design. We herein present a theoretical study of the binding of five different ligands ...