Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

198 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations.
Sampson JM, Cannon DA, Duan J, C K Epstein J, Sergeeva AP, Katsamba PS, Mannepalli SM, Bahna FA, Adihou H, Guéret SM, Gopalakrishnan R, Geschwindner S, Gareth Rees D, Sigurdardottir A, Wilkinson T, Dodd RB, De Maria L, Carlos Mobarec J, Shapiro L, Honig B, Buchanan A, Friesner RA, Wang L. Sampson JM, et al. J Mol Biol. 2024 Jun 4:168640. doi: 10.1016/j.jmb.2024.168640. Online ahead of print. J Mol Biol. 2024. PMID: 38844044
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations.
Sampson JM, Cannon DA, Duan J, Epstein JCK, Sergeeva AP, Katsamba PS, Mannepalli SM, Bahna FA, Adihou H, Guéret SM, Gopalakrishnan R, Geschwindner S, Rees DG, Sigurdardottir A, Wilkinson T, Dodd RB, De Maria L, Mobarec JC, Shapiro L, Honig B, Buchanan A, Friesner RA, Wang L. Sampson JM, et al. bioRxiv [Preprint]. 2024 Apr 24:2024.04.22.590325. doi: 10.1101/2024.04.22.590325. bioRxiv. 2024. Update in: J Mol Biol. 2024 Jun 4:168640. doi: 10.1016/j.jmb.2024.168640. PMID: 38712280 Free PMC article. Updated. Preprint.
Electron and Spin Delocalization in [Co6 Se8 (PEt3 )6 ]0/+1 Superatoms.
Xu Y, Chen J, Aydt AP, Zhang L, Sergeyev I, Keeler EG, Choi B, He S, Reichman DR, Friesner RA, Nuckolls C, Steigerwald ML, Roy X, McDermott AE. Xu Y, et al. Chemphyschem. 2024 Jan 15;25(2):e202300064. doi: 10.1002/cphc.202300064. Epub 2023 Dec 6. Chemphyschem. 2024. PMID: 38057144
198 results