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| Date: | 2018-11-19T17:47:36.193+01:00 |
| Title: | /SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_RSR-2product |
| Author: | Van der Kamp, Marc |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |
| Date: | 2018-11-19T17:47:33.216+01:00 |
| Title: | /SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_SR-1reactant |
| Author: | Van der Kamp, Marc |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |
| Date: | 2018-11-19T17:47:30.127+01:00 |
| Title: | /SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_transition-state |
| Author: | Van der Kamp, Marc |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |
| Date: | 2018-11-19T17:47:25.98+01:00 |
| Title: | /SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB2_RSR-2product |
| Author: | Van der Kamp, Marc |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |
| Date: | 2018-11-19T17:47:21.339+01:00 |
| Title: | /SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB2_SR-1reactant |
| Author: | Van der Kamp, Marc |
| Keywords: | Molecular dynamics Biocatalysis QM/MM Ketoreductases Computational enzymology Chiral alcohols |