Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method

Abstract

Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method

Keywords

• dna-polymerase-beta
• nucleic-acid bases
• hydration free-energies
• replication fidelity
• molecular-dynamics
• ab-initio
• computer-simulations
• component analysis
• aqueous-solution
• ionic solutes