Archive for November, 2009

  • It’s “well known” that we all need to find the stronger inhibitors against any specific therapeutic target as possible. The motivation is that the strongest inhibitors are most probably less [...]

    Do we need those nM-inhibitors?

    It’s “well known” that we all need to find the stronger inhibitors against any specific therapeutic target as possible. The motivation is that the strongest inhibitors are most probably less [...]

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  • There is no need to explain how important are electrostatics interactions in Biology. Unfortunately electrostatics forces are long range and the interactions led by the interaction of  molecular charges [...]

    Three great ways to calculate Born radii beyond the Coulomb Field Approximation

    There is no need to explain how important are electrostatics interactions in Biology. Unfortunately electrostatics forces are long range and the interactions led by the interaction of molecular charges [...]

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  • Solvation energy is one of the major contribution to binding energy of a ligand to a biologically active protein and is the contribution mostly responsible for the protein selectivity. Although [...]

    Water polarization charges in Generalized Born models.

    Solvation energy is one of the major contribution to binding energy of a ligand to a biologically active protein and is the contribution mostly responsible for the protein selectivity. Although [...]

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