@article{oai:tohoku-mpu.repo.nii.ac.jp:00000077, author = {小林, 佳奈 and Kobayashi, Kana and 小田, 彰史 and Oda, Akifumi and 高橋, 央宜 and Takahashi, Ohgi}, issue = {57}, journal = {東北薬科大学研究誌, Journal of Tohoku Pharmaceutical University}, month = {Dec}, note = {Computational simulations can reproduce or predict structural changes of proteins upon various mutations in a short time.In this study,molecular dynamics simulations of the wild type and mutants of bovine pancreatic trypsin inhibitor with explicit solvent were carried out to evaluate reliability of molecular dynamics simulation.We used two force fields,ff03 and ff99SB,and compared the results.Effects of the amino acid mutations on structural stability were largely reproduced by the simulations.}, pages = {67--72}, title = {明示的に水を取り扱った分子動力学シュミレーションの変異体の計算に対する有用性の検討.Bovine Pancreatic Trypsin Inhibitorを用いた試験}, year = {2010}, yomi = {コバヤシ, カナ and オダ, アキフミ and タカハシ, オウギ} }