검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins Maragakis P, Lindorff-Larsen K, Eastwood MP, Dror RO, Klepeis JL, Arkin IT, Jensen MO, Xu HF, Trbovic N, Friesner RA, Palmer AG, Shaw DE Journal of Physical Chemistry B, 112(19), 6155, 2008 |
| 2 |
Analysis and prediction of loop segments in protein structures Klepeis JL, Floudas CA Computers & Chemical Engineering, 29(3), 423, 2005 |
| 3 |
Design of peptide analogues with improves activity using a novel de Novo protein design approach Klepeis JL, Floudas CA, Morikis D, Tsokos CG, Lambris JD Industrial & Engineering Chemistry Research, 43(14), 3817, 2004 |
| 4 |
Integrated computational and experimental approach for lead optimization and design of compstatin variants with improved activity Klepeis JL, Floudas CA, Morikis D, Tsokos CG, Argyropoulos E, Spruce L, Lambris JD Journal of the American Chemical Society, 125(28), 8422, 2003 |
| 5 |
Deterministic global optimization and torsion angle dynamics for molecular structure prediction Klepeis JL, Floudas CA Computers & Chemical Engineering, 24(2-7), 1761, 2000 |
| 6 |
Free energy calculations for peptides via deterministic global optimization Klepeis JL, Floudas CA Journal of Chemical Physics, 110(15), 7491, 1999 |
| 7 |
Protein folding and peptide docking : A molecular modeling and global optimization approach Klepeis JL, Ierapetritou MG, Floudas CA Computers & Chemical Engineering, 22(S), 3, 1998 |
| 8 |
Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions Klepeis JL, Androulakis IP, Ierapetritou MG, Floudas CA Computers & Chemical Engineering, 22(6), 765, 1998 |