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11Â¥: Originally posted by smurecruit at 2014-10-20 12:10:26
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smurecruit

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smurecruit

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14Â¥: Originally posted by lÁ¿×ÓÏþÒä at 2014-10-23 13:54:34
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http://pubs.acs.org/doi/abs/10.1021/ct500342h
Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics
J. Chem. Theory Comput. 2014, 10, 4198-4207.

http://pubs.acs.org/doi/abs/10.1021/jp5072296
Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization Energies
J. Phys. Chem. A 2014, ASAP. DOI: 10.1021/jp5072296

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zhuohongying

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17Â¥: Originally posted by smurecruit at 2014-11-18 12:47:40
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smurecruit

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18Â¥: Originally posted by zhuohongying at 2014-11-18 00:40:58
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smurecruit

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Our protein allostery paper on The Journal of Physical Chemistry A using rigid body dynamics was just accepted:
http://pubs.acs.org/doi/abs/10.1021/jp5083455
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20Â¥2014-12-02 05:04:55
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