화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Electrostatic Polarization Is Crucial in Reproducing Cu(I) Interaction Energies and Hydration
Ponomarev SY, Click TH, Kaminski GA
Journal of Physical Chemistry B, 115(33), 10079, 2011
2 Reproducing Basic pK(a) Values for Turkey Ovomucoid Third Domain Using a Polarizable Force Field
Click TH, Kaminski GA
Journal of Physical Chemistry B, 113(22), 7844, 2009
3 Electrostatic polarization is crucial for reproducing pKa shifts of carboxylic residues in turkey ovomucoid third domain
MacDermaid CM, Kaminski GA
Journal of Physical Chemistry B, 111(30), 9036, 2007
4 Preparation and properties of polyamines. Part I. Polymers containing dinitro substituted aromatic groups
Teng YH, Kaminski GA, Zhang ZB, Sharma A, Mohanty DK
Polymer, 47(11), 4004, 2006
5 Accurate prediction of absolute acidity constants in water with a polarizable force field: Substituted phenols, methanol, and imidazole
Kaminski GA
Journal of Physical Chemistry B, 109(12), 5884, 2005
6 Accurate determination of pyridine-poly(amidoamine) dendrimer absolute binding constants with the OPLS-AA force field and direct integration of radial distribution functions
Peng Y, Kaminski GA
Journal of Physical Chemistry B, 109(31), 15145, 2005
7 Development of an accurate and robust polarizable molecular mechanics force field from ab initio quantum chemistry
Kaminski GA, Stern HA, Berne BJ, Friesner RA
Journal of Physical Chemistry A, 108(4), 621, 2004
8 Force field validation using protein side chain prediction
Jacobson MP, Kaminski GA, Friesner RA, Rapp CS
Journal of Physical Chemistry B, 106(44), 11673, 2002
9 Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
Kaminski GA, Friesner RA, Tirado-Rives J, Jorgensen WL
Journal of Physical Chemistry B, 105(28), 6474, 2001
10 Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model
Banks JL, Kaminski GA, Zhou RH, Mainz DT, Berne BJ, Friesner RA
Journal of Chemical Physics, 110(2), 741, 1999