Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge
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Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge
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scientific article published on 30 August 2016
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wetenschappelijk artikel
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наукова стаття, опублікована в серпні 2016
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Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@en
Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
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Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@en
Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@nl
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Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@en
Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@nl
P2093
P2860
P50
P1476
Calculating distribution coeff ...... ansfer in the SAMPL5 challenge
@en
P2093
Andrew C Simmonett
Bernard R Brooks
Florentina Tofoleanu
Michael Jones
Samarjeet Prasad
P2860
P2888
P304
P356
10.1007/S10822-016-9936-X
P577
2016-08-30T00:00:00Z