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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | omega2_parallel-antiparallel_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.14058154752; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11890125696; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.1134406272; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11469144384; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.12471534719998; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.46469365247998; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.50754220992; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47448441216; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.88305483008; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.92051797567999; Eh |
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- 108 Protein Design
- 20 Protein design