Abstract
The chain‐buildup method is presented for sampling the low energy conformations of polypeptides and enzyme‐substrate complexes. This method circumvents the multiple minimum problem. It is shown that the method can compute structures in agreement with experiment.
| Original language | English |
|---|---|
| Pages (from-to) | 209-220 |
| Number of pages | 12 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 34 |
| Issue number | 15 S |
| DOIs | |
| State | Published - 1988 |
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