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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md4 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.39749026559997; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md6 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.41193640896; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md5 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40286579711997; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md7 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40375900992; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md3 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.42474480959999; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40164494016; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md2 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.43750141824; Eh | |||
![]() | 14-Feb-2023 | epsilon_parallel-antiparallel_md0 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.3931325664; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_2chroms_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.86742703232; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.78909636736; Eh |
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- 128 Photosynthesis
- 108 Protein Design
- 20 Protein design
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