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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | alpha2_parallel-antiparallel_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47093913024; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.86742703232; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.89564283584; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.92051797567999; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.88305483008; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.85087032512; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.8892598304; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90233595584; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90504826304; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20953218879998; Eh |
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Subject
- 136 Photosynthesis
- 108 Protein Design
- 28 Protein design
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Method
- 8 RCAM-B3LYP
- 8 TD-FC