Jiri Vondrasek

Jiri Vondrasek

Institute of Organic Chemistry and Biochemistry CAS - Prague / Czech Republic
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4414140
Ústav organické chemie a biochemie CAS
person_outline Jiri Vondrasek's MOST POPULAR ARTICLES
1-) Inhibitors of HIV-1 protease: a major success of structure-assisted drug design Annual review of biophysics and biomolecular structure 27 (1), 249-284, 1998
2-) Coordination geometries of selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in metalloproteins Journal of inorganic biochemistry 71 (3-4), 115-127, 1998
3-) Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree–Fock method for … Journal of Computational Chemistry 18 (9), 1136-1150, 1997
4-) Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces Proceedings of the National Academy of Sciences 103 (42), 15440-15444, 2006
5-) MedusaScore: an accurate force field-based scoring function for virtual drug screeningS Yin, L Biedermannova, J Vondrasek, NV DokholyanJournal of chemical information and modeling 48 (8), 1656-1662, 20082372008