-
1
-
-
0030134642
-
Estimating the relative free energy of different molecular states with respect to a single reference state
-
Liu, H.Y., Mark, A.E., Van Gunsteren, W.F.: Estimating the relative free energy of different molecular states with respect to a single reference state. J. Phys. Chem. 100, 9485-9494 (1996)
-
(1996)
J. Phys. Chem
, vol.100
, pp. 9485-9494
-
-
Liu, H.Y.1
Mark, A.E.2
Van Gunsteren, W.F.3
-
2
-
-
0346458810
-
Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation
-
Oostenbrink, C., Van Gunsteren, W.F.: Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation. Proteins 54(2), 237-246 (2004)
-
(2004)
Proteins
, vol.54
, Issue.2
, pp. 237-246
-
-
Oostenbrink, C.1
Van Gunsteren, W.F.2
-
3
-
-
0008819754
-
The GROMOS biomolecular simulation program package
-
Scott, W.R.P., Hunenberger, P.H., Tironi, I.G., Mark, A.E., Billeter, S.R., Fennen, J., Torda, A.E., Huber, P., Kruger, P., Van Gunsteren, W.F.: The GROMOS biomolecular simulation program package. J. Phys. Chem. A 103(19), 3596-3607 (1999)
-
(1999)
J. Phys. Chem. A
, vol.103
, Issue.19
, pp. 3596-3607
-
-
Scott, W.R.P.1
Hunenberger, P.H.2
Tironi, I.G.3
Mark, A.E.4
Billeter, S.R.5
Fennen, J.6
Torda, A.E.7
Huber, P.8
Kruger, P.9
Van Gunsteren, W.F.10
-
4
-
-
4444282928
-
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
-
Oostenbrink, C., Villa, A., Mark, A.E., Van Gunsteren, W.F.: A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6. J. Comput. Chem. 25(13), 1656-1676 (2004)
-
(2004)
J. Comput. Chem
, vol.25
, Issue.13
, pp. 1656-1676
-
-
Oostenbrink, C.1
Villa, A.2
Mark, A.E.3
Van Gunsteren, W.F.4
-
5
-
-
0033164367
-
Association constant prediction for the inclusion of α-cyclodextrin with benzene derivatives by an artificial neural network
-
Liu, L., Li, W.-G., Guo, Q.-X.: Association constant prediction for the inclusion of α-cyclodextrin with benzene derivatives by an artificial neural network. J. Incl. Phenom. 34, 291-298 (1999)
-
(1999)
J. Incl. Phenom
, vol.34
, pp. 291-298
-
-
Liu, L.1
Li, W.-G.2
Guo, Q.-X.3
-
6
-
-
20444494974
-
Novel prediction for the priving force and guest orientation in the complexation of α-and β-cyclodextrin with benzene derivatives[J]
-
Liu, L., Guo, Q.-X.: Novel prediction for the priving force and guest orientation in the complexation of α-and β-cyclodextrin with benzene derivatives[J]. J. Phys. Chem. B 103, 3461 (1999)
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 3461
-
-
Liu, L.1
Guo, Q.-X.2
|