Gresh N, Pullman B
Biochim Biophys Acta. 1980 Jun 27;608(1):47-53. doi: 10.1016/0005-2787(80)90132-x.
Quantum-mechanical computations are performed on the in vacuo and in water interactions between the purine bases guanine and cytosine and the side chains of the amino acids arginine, lysine, glutamic acid and glutamine. The results predict that while guanine should be the more strongly interacting base both in vacuo and in water, lysine should be the most strongly interacting amino acid in vacuo and arginine the most strongly interacting amino acid in water solvent. The theoretical results on the interactions in water agree satisfactorily with experimentation.
对嘌呤碱基鸟嘌呤和胞嘧啶与氨基酸精氨酸、赖氨酸、谷氨酸和谷氨酰胺的侧链在真空和水中的相互作用进行了量子力学计算。结果预测，虽然鸟嘌呤在真空和水中都应是相互作用更强的碱基，但赖氨酸在真空中应是相互作用最强的氨基酸，而精氨酸在水溶剂中是相互作用最强的氨基酸。关于在水中相互作用的理论结果与实验结果令人满意地吻合。
