Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Dudley K. Kelso"'
Autor:
Diem-Trang Pham, Qianyi Cheng, Thomas J. Summers, Nathan J. DeYonker, Dudley K. Kelso, Manuel A. Palma, Charles Edwin Webster
Publikováno v:
Biophys J
To accurately simulate the inner workings of an enzyme active site with quantum mechanics (QM), not only must the reactive species be included in the model but also important surrounding residues, solvent, or coenzymes involved in crafting the microe
Autor:
Qianyi Cheng, Diem-Trang Pham, Thomas J. Summers, Nathan J. DeYonker, Charles Edwin Webster, Manuel A. Palma, Dudley K. Kelso
The efficiency, accuracy, and replicability of enzyme simulations is often hampered by ad hoc model design. To address this problem, we have developed the Residue Interaction Network ResidUe Selector (RINRUS) toolkit. RINRUS utilizes residue contact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b1777bd6c26a03ecad3040ed710c4f15
https://doi.org/10.26434/chemrxiv.12756245.v2
https://doi.org/10.26434/chemrxiv.12756245.v2