화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Evaluating the stability of pharmacophore features using molecular dynamics simulations
Wieder M, Perricone U, Boresch S, Seidel T, Langer T
Biochemical and Biophysical Research Communications, 470(3), 685, 2016
2 Hydration Free Energies of Amino Acids: Why Side Chain Analog Data Are Not Enough
Konig G, Boresch S
Journal of Physical Chemistry B, 113(26), 8967, 2009
3 A molecular dynamics study of WPD-loop flexibility in PTP1B
Kamerlin SCL, Rucker R, Boresch S
Biochemical and Biophysical Research Communications, 356(4), 1011, 2007
4 A targeted molecular dynamics study of WPD loop movement in PTP1B
Kamerlin SCL, Rucker R, Boresch S
Biochemical and Biophysical Research Communications, 345(3), 1161, 2006
5 Unexpected relative aqueous solubilities of a phosphotyrosine analogue and two phosphonate derivatives
Boresch S, Leitgeb M, Beselman A, MacKerell AD
Journal of the American Chemical Society, 127(13), 4640, 2005
6 A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide
Boresch S, Willensdorfer M, Steinhauser O
Journal of Chemical Physics, 120(7), 3333, 2004
7 Absolute binding free energies: A quantitative approach for their calculation
Boresch S, Tettinger F, Leitgeb M, Karplus M
Journal of Physical Chemistry B, 107(35), 9535, 2003
8 Dielectric spectroscopy in aqueous solutions of oligosaccharides: Experiment meets simulation
Weingartner H, Knocks A, Boresch S, Hochtl P, Steinhauser O
Journal of Chemical Physics, 115(3), 1463, 2001
9 The dielectric self-consistent field method. I. Highways, byways, and illustrative results
Boresch S, Steinhauser O
Journal of Chemical Physics, 115(23), 10780, 2001
10 The dielectric self-consistent field method. II. Application to the study of finite range effects
Boresch S, Steinhauser O
Journal of Chemical Physics, 115(23), 10793, 2001