Paulius Mikulskis

PhD student

Research interests

  • Protein and ligand interactions
  • Drug discovery

Publications

  • Genheden, S., Mikulskis, P., Hu, L.H., Kongsted, J., Söderhjelm, P., Ryde, U. (2011) Accurate estimation of non-polar solvation free energies requires explicit consideration of binding site hydration, J. Am. Chem. Soc., DOI: 10.1021/ja202972m
  • Mikulskis P., Genheden S., Rydberg P., Sanderberg L., Olsen L., Ryde, U. (2012) Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods, J. Comput.-Aided Mol. Design., DOI: 10.1007/s10822-011-9524-z
  • Mikulskis, P., Genheden S., Wichmann, K., Ryde, U. (2012) A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections, J. Comput. Chem , accepted
  • Genheden, S., Kuhn, O., Mikulskis, P., Hoffmann, D., U. Ryde (2012) The normal-mode enetropy in the MM/GBSA method: Effect of system truncation, buffer region, and dielectric constant, J. Comput.-Aided Mol. Design, submitted

Hobbies

  • Traveling
  • Board games