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. Author manuscript; available in PMC: 2018 Jun 13.
Published in final edited form as: J Chem Theory Comput. 2017 May 1;13(6):2930–2944. doi: 10.1021/acs.jctc.6b01183

Figure 2.

Figure 2

Configurations of n-hexylbenzene sampled at 600 K without a receptor interaction grid. The secondary structure of T4 lysozyme is shown as a ribbon. The protein structure is from an alchemical pathway calculation of DL-camphor binding.