+++The J of Physical Chemistry+ J of Computational Chemistry

[Hitman]

Нужны статьи:
1.The Journal of Physical Chemistry, Stephen L. Mayo, Barry D. Olafson, William A. Goddard,
"DREIDING: a generic force field for molecular simulations", 1990, 94 (26), pp 8897–8909.

DOI:

http://dx.doi.org/10.1021/j100389a010

2. Journal of Computational Chemistry, J. Santeri Puranen, Mikko J. Vainio, Mark S. Johnson,
"Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery",
Volume 31, Issue 8, pp 1722–1732.

DOI:

http://dx.doi.org/10.1002/jcc.21460

3. Journal of Computational Chemistry, Thomas A. Halgren,
"Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94",
Volume 17, Issue 5-6, pages 490–519.

DOI:

http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P

Заранее спасибо!

[Bomber]

1

[Bomber]

2,3

[Hitman]

Большое спасибо!