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. Author manuscript; available in PMC: 2018 Jun 13.
Published in final edited form as: J Chem Theory Comput. 2017 May 12;13(6):3031–3048. doi: 10.1021/acs.jctc.7b00125

Table 5.

Energy terms for structure prediction in different contexts

Context Term Description Unit Ref.
Membrane Environment fa_mpsolv Solvation energy dependent on the protein orientation relative to the membrane kcal/mol [119,122]
fa_mpenv One-body membrane environment energy dependent on the protein orientation relative to the membrane kcal/mol [119,122]
pH e_pH Likelihood of side chain protonation given a user-specified pH kcal/mol [118]