Molecular binding forms the basis of all biological and medicinal processes. Determining a ligand's binding ability can be extremely useful in guiding the development of drugs in the field of drug discovery…
An important factor in guiding the development of drug discovery efforts is the role of comprehensively estimating a ligand or drug’s ability to bind its receptor. The metric used to measure this interaction strength is by conducting free energy calculations…
An important factor in guiding the development of drug discovery efforts is the comprehensive assessment of a ligand or drug’s ability to bind its receptor. The metric used to measure this interaction strength is by calculating the binding free energy (BFE)…