| 2008 |
|---|
| 4 | EE | Vladimir Hnizdo,
Jun Tan,
Benjamin J. Killian,
Michael K. Gilson:
Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods.
Journal of Computational Chemistry 29(10): 1605-1614 (2008) |
| 2007 |
|---|
| 3 | EE | Vladimir Hnizdo,
Eva Darian,
Adam Fedorowicz,
Eugene Demchuk,
Shengqiao Li,
Harshinder Singh:
Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules.
Journal of Computational Chemistry 28(3): 655-668 (2007) |
| 2005 |
|---|
| 2 | EE | Eva Darian,
Vladimir Hnizdo,
Adam Fedorowicz,
Harshinder Singh,
Eugene Demchuk:
Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations.
Journal of Computational Chemistry 26(7): 651-660 (2005) |
| 2003 |
|---|
| 1 | EE | Vladimir Hnizdo,
Adam Fedorowicz,
Harshinder Singh,
Eugene Demchuk:
Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations.
Journal of Computational Chemistry 24(10): 1172-1183 (2003) |
