The evaluation of protein-ligand binding free energies using advanced potential energy function
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| المؤلف الرئيسي: | |
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| التنسيق: | أطروحة كتاب |
| اللغة: | English |
| الموضوعات: | |
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| LEADER | 01504cam a2200301 7i4500 | ||
|---|---|---|---|
| 001 | 0000095461 | ||
| 005 | 20191205090000.0 | ||
| 008 | 190314s2018 my eng | ||
| 040 | |a UniSZA | ||
| 050 | 0 | 0 | |a QP551 |
| 090 | 0 | 0 | |a QP551 |b .N66 2018 |
| 100 | 0 | |a Noor Asidah Mohamed |e author | |
| 245 | 1 | 4 | |a The evaluation of protein-ligand binding free energies using advanced potential energy function |c Noor Asidah Mohamed. |
| 264 | 0 | |c 2018. | |
| 300 | |a xx, 158 leaves: |b illustrations (some colour); |c 31 cm. | ||
| 336 | |a text |2 rdacontent | ||
| 337 | |a unmediated |2 rdamedia | ||
| 338 | |a volume |2 rdacarrier | ||
| 502 | |a Thesis (Degree of Doctor of Philosophy) - University of Southampton, 2018 | ||
| 504 | |a Includes bibliographical references (leaves 135-158) | ||
| 505 | 0 | |a 1. Introdcution -- 2. Theory -- 3. Evaluation of solvation free energies for small molecules with the AMOEBA polarisable force field -- 4 Evaluating parameter and methodology in binding free energy calculations of cytochrome c peroxidase -- 5. Assessment of AMOEBA polarisable force field heme parameters -- 6. Evaluation of Protein-Ligand binding free energies of cytochrome c peroxidase with AMOEBA polarisable force field -- 7. Conclusion | |
| 610 | 2 | 0 | |a University of Southampton |
| 650 | 0 | |a Proteins-chemistry | |
| 650 | 0 | |a Ligands (Biochemistry) | |
| 650 | 0 | |a Protein Binding | |
| 651 | 0 | |a Malaysia | |
| 710 | 2 | |a University of Southampton | |
| 999 | |a 1000175821 |b Thesis |c Reference |e Tembila Thesis Collection | ||