Biophysics in the Big Easy
Performed without any influence of the electron density, the ICM optimization shifted the ligand by 1.3 Å and found a pose with better binding interactions ...
A Selection of some of our Scientific publications - EurofinsIn this review, we compare the development of computer modeling in three major drug classes (antineoplastic agents, cardiovascular agents, and. Gábor Náray-Szabó Editor - Protein Modellingfavorable at pH 5.5 because Glu-2 is negatively charged and it is close to the N-terminus while His-12 is positively charged and it is close to the C-terminus. Molecular determinants of the Kv1.3/KCNE4 interaction... the channel with mutations in the pore domain found to have a higher clinical risk than mutations from either the N or C-terminus of hERG [1].
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