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- W2790141569 abstract "The structure of peptides in the liquid state has been studied by means of all atom molecular dynamics study and DFT calculations. According to DFT calculations followed by normal frequency analyses, peptides, constitute global and local minima, with an energy difference of 2.2−3.3 kJ mol-1. This observation is supported by density functional theoretical (DFT) parameters such as the highest occupied molecule energy level, the lowest unoccupied molecule energy level, the energy difference between highest and lowest energy molecular orbital." @default.
- W2790141569 created "2018-03-29" @default.
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- W2790141569 date "2018-01-05" @default.
- W2790141569 modified "2023-09-24" @default.
- W2790141569 title "Conformational equilibrium of phage display derived peptides on a platinum surface in aqueous environment: All atomic molecular dynamics study and DFT calculations" @default.
- W2790141569 hasPublicationYear "2018" @default.
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