When are two hydrogen bonds better than one? Accurate first-principles models explain the balance of hydrogen bond donors and acceptors found in proteins
Hydrogen bonds (HBs) play an essential role in the structure and catalytic action of enzymes, but a complete understanding of HBs in proteins challenges the resolution of modern structural (i.e., X-ray diffraction) techniques and mandates computationally demanding electronic structure methods from c...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC)
2021
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| Online Access: | https://hdl.handle.net/1721.1/134180 |