Search Results - "Khalak, Y"

Alchemical absolute protein-ligand binding free energies for drug design by Khalak, Y, Tresadern, G, Aldeghi, M, Baumann, H. M, Mobley, D. L, de Groot, B. L, Gapsys, V

“…The recent advances in relative protein-ligand binding free energy calculations have shown the value of alchemical methods in drug discovery. Accurately…”
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A new approach to modeling the surface magnetic fields of chemically peculiar stars by Khalak, V R, Khalak, Yu N, Shavrina, A V, Polosukhina, N S

“…A reconstruction of the line-of-sight component and modulus of the surface-magnetic-field vector is proposed, using a model with artificial point sources of…”
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