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 Custom Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2019 8
2020 5
2021 7
2022 7
2023 7
2024 9

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

40 results

Results by year

Filters applied: . Clear all
Page 1
Covalent docking in CDOCKER.
Wu Y, Brooks Iii CL. Wu Y, et al. J Comput Aided Mol Des. 2022 Aug;36(8):563-574. doi: 10.1007/s10822-022-00472-3. Epub 2022 Aug 19. J Comput Aided Mol Des. 2022. PMID: 35984589 Free PMC article.
A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann M, Kin… See abstract for full author list ➔ Schimunek J, et al. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243 Free PMC article.
Biomolecular dynamics in the 21st century.
Brooks CL 3rd, MacKerell AD Jr, Post CB, Nilsson L. Brooks CL 3rd, et al. Biochim Biophys Acta Gen Subj. 2024 Feb;1868(2):130534. doi: 10.1016/j.bbagen.2023.130534. Epub 2023 Dec 6. Biochim Biophys Acta Gen Subj. 2024. PMID: 38065235 Free article. Review.
Biocatalytic Stereoselective Oxidation of 2-Arylindoles.
Champagne SE, Chiang CH, Gemmel PM, Brooks CL 3rd, Narayan ARH. Champagne SE, et al. J Am Chem Soc. 2024 Jan 31;146(4):2728-2735. doi: 10.1021/jacs.3c12393. Epub 2024 Jan 18. J Am Chem Soc. 2024. PMID: 38237569 Free PMC article.
Positioning-Group-Enabled Biocatalytic Oxidative Dearomatization.
Dockrey SAB, Suh CE, Benítez AR, Wymore T, Brooks CL 3rd, Narayan ARH. Dockrey SAB, et al. ACS Cent Sci. 2019 Jun 26;5(6):1010-1016. doi: 10.1021/acscentsci.9b00163. Epub 2019 Jun 12. ACS Cent Sci. 2019. PMID: 31263760 Free PMC article.
Free Gangliosides Can Alter Amyloid-β Aggregation.
Chakravorty A, McCalpin SD, Sahoo BR, Ramamoorthy A, Brooks CL 3rd. Chakravorty A, et al. J Phys Chem Lett. 2022 Oct 13;13(40):9303-9308. doi: 10.1021/acs.jpclett.2c02362. Epub 2022 Sep 29. J Phys Chem Lett. 2022. PMID: 36174129 Free PMC article.
FASTDock: A Pipeline for Allosteric Drug Discovery.
Ahmed F, Brooks CL 3rd. Ahmed F, et al. J Chem Inf Model. 2023 Nov 27;63(22):7219-7227. doi: 10.1021/acs.jcim.3c00895. Epub 2023 Nov 8. J Chem Inf Model. 2023. PMID: 37939386 Free PMC article.
Exploring pH Dependent Host/Guest Binding Affinities.
Paul TJ, Vilseck JZ, Hayes RL, Brooks CL 3rd. Paul TJ, et al. J Phys Chem B. 2020 Jul 30;124(30):6520-6528. doi: 10.1021/acs.jpcb.0c03671. Epub 2020 Jul 22. J Phys Chem B. 2020. PMID: 32628482 Free PMC article.
40 results