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oteri's Gould:IR [2 articles] Export Sort

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Assessment of standard force field models against high-quality <I>ab initio</I> potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions

Journal of Computational Chemistry, Vol. 30, No. 14. (2009), pp. 2187-2193.

by C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, et al.Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould

posted to no-tag by oteri on 2009-05-03 22:20:56 as

along with 1 person and 1 group RamuAnandakrishnan Structural Biology Group TorVergata

A second generation force field for the simulation of proteins, nucleic acids and organic molecules.

J. Am. Chem. Soc., No. 117. (1995), pp. 5179-5197.

by W. D. Cornell, P. Cieplak, C. I. Bayly, et al.I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, P. A. Kollman

posted to algorithm by oteri on 2009-03-19 11:22:01 as

along with 1 person and 1 group csrocha Structural Biology Group TorVergata

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oteri's Gould:IR [2 articles] Export Sort

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