Santos-Martins D - Search Results

1

IP6 and PF74 affect HIV-1 Capsid Stability through Modulation of Hexamer-Hexamer Tilt Angle Preference.

Garza CM, Holcomb M, Santos-Martins D, Torbett BE, Forli S. Garza CM, et al. Among authors: santos martins d. bioRxiv [Preprint]. 2024 Mar 12:2024.03.11.584513. doi: 10.1101/2024.03.11.584513. bioRxiv. 2024. PMID: 38559213 Free PMC article. Preprint.

2

Performance evaluation of flexible macrocycle docking in AutoDock.

Holcomb M, Santos-Martins D, Tillack AF, Forli S. Holcomb M, et al. Among authors: santos martins d. QRB Discov. 2022 Oct 17;3:e18. doi: 10.1017/qrd.2022.18. eCollection 2022. QRB Discov. 2022. PMID: 37529284 Free PMC article.

3

Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species.

Bianco G, Holcomb M, Santos-Martins D, Tillack A, Hansel-Harris A, Forli S. Bianco G, et al. Among authors: santos martins d. J Chem Inf Model. 2023 Sep 11;63(17):5631-5640. doi: 10.1021/acs.jcim.3c00832. Epub 2023 Aug 28. J Chem Inf Model. 2023. PMID: 37639635 Free PMC article.

4

Charting Hydrogen Bond Anisotropy.

Santos-Martins D, Forli S. Santos-Martins D, et al. J Chem Theory Comput. 2020 Apr 14;16(4):2846-2856. doi: 10.1021/acs.jctc.9b01248. Epub 2020 Mar 10. J Chem Theory Comput. 2020. PMID: 32105473 Free PMC article.

5

A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.

Ozorowski G, Torres JL, Santos-Martins D, Forli S, Ward AB. Ozorowski G, et al. Cell Rep. 2020 Nov 24;33(8):108428. doi: 10.1016/j.celrep.2020.108428. Cell Rep. 2020. PMID: 33238117 Free PMC article.

6

Initial Analysis of the Arylomycin D Antibiotics.

Tan YX, Peters DS, Walsh SI, Holcomb M, Santos-Martins D, Forli S, Romesberg FE. Tan YX, et al. J Nat Prod. 2020 Jul 24;83(7):2112-2121. doi: 10.1021/acs.jnatprod.9b01174. Epub 2020 Jul 2. J Nat Prod. 2020. PMID: 32614583

7

Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results.

Hansel-Harris AT, Santos-Martins D, Bruciaferri N, Tillack AF, Holcomb M, Forli S. Hansel-Harris AT, et al. Among authors: santos martins d. J Chem Inf Model. 2023 Apr 10;63(7):1858-1864. doi: 10.1021/acs.jcim.3c00166. Epub 2023 Mar 28. J Chem Inf Model. 2023. PMID: 36976961 Free PMC article.

8

AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins.

Santos-Martins D, Forli S, Ramos MJ, Olson AJ. Santos-Martins D, et al. J Chem Inf Model. 2014 Aug 25;54(8):2371-9. doi: 10.1021/ci500209e. Epub 2014 Jul 18. J Chem Inf Model. 2014. PMID: 24931227 Free PMC article.

9

Structural basis for strand-transfer inhibitor binding to HIV intasomes.

Passos DO, Li M, Jóźwik IK, Zhao XZ, Santos-Martins D, Yang R, Smith SJ, Jeon Y, Forli S, Hughes SH, Burke TR Jr, Craigie R, Lyumkis D. Passos DO, et al. Science. 2020 Feb 14;367(6479):810-814. doi: 10.1126/science.aay8015. Epub 2020 Jan 30. Science. 2020. PMID: 32001521 Free PMC article.

10

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings.

Eberhardt J, Santos-Martins D, Tillack AF, Forli S. Eberhardt J, et al. Among authors: santos martins d. J Chem Inf Model. 2021 Aug 23;61(8):3891-3898. doi: 10.1021/acs.jcim.1c00203. Epub 2021 Jul 19. J Chem Inf Model. 2021. PMID: 34278794 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

38 results

Search Page

Filters