期刊
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
卷 26, 期 1, 页码 3-8出版社
SPRINGER
DOI: 10.1007/s10822-011-9494-1
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资金
- NCRR NIH HHS [P41 RR000954] Funding Source: Medline
- NEI NIH HHS [R01 EY012113-03] Funding Source: Medline
- NIGMS NIH HHS [R01 GM068460, R01 GM053630-07, R01 GM068460-04, R01 GM106974] Funding Source: Medline
In order to deal with the complexity of biological systems at the atomic level, limiting assumptions are often made which do not reflect the reality of the system under study. One example is the assumption that the entropy of binding of the macromolecule is not influenced significantly by the different ligands. Recent experimental data on ligands binding to HIV-1 protease challenge this assumption.
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