These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
211 related articles for article (PubMed ID: 32420743)
1. Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. Draxler SW; Bauer M; Eickmeier C; Nadal S; Nar H; Rangel Rojas D; Seeliger D; Zeeb M; Fiegen D J Med Chem; 2020 Jun; 63(11):5856-5864. PubMed ID: 32420743 [TBL] [Abstract][Full Text] [Related]
2. Site Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug design. Faller CE; Raman EP; MacKerell AD; Guvench O Methods Mol Biol; 2015; 1289():75-87. PubMed ID: 25709034 [TBL] [Abstract][Full Text] [Related]
3. Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach. Raman EP; Yu W; Lakkaraju SK; MacKerell AD J Chem Inf Model; 2013 Dec; 53(12):3384-98. PubMed ID: 24245913 [TBL] [Abstract][Full Text] [Related]
4. Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Silvestre HL; Blundell TL; Abell C; Ciulli A Proc Natl Acad Sci U S A; 2013 Aug; 110(32):12984-9. PubMed ID: 23872845 [TBL] [Abstract][Full Text] [Related]
5. Counting on Fragment Based Drug Design Approach for Drug Discovery. Kashyap A; Singh PK; Silakari O Curr Top Med Chem; 2018; 18(27):2284-2293. PubMed ID: 30499406 [TBL] [Abstract][Full Text] [Related]
6. Screening Ligands by X-ray crystallography. Davies DR Methods Mol Biol; 2014; 1140():315-23. PubMed ID: 24590727 [TBL] [Abstract][Full Text] [Related]
7. Computational fragment-based binding site identification by ligand competitive saturation. Guvench O; MacKerell AD PLoS Comput Biol; 2009 Jul; 5(7):e1000435. PubMed ID: 19593374 [TBL] [Abstract][Full Text] [Related]
8. NMR characterization of weak interactions between RhoGDI2 and fragment screening hits. Liu J; Gao J; Li F; Ma R; Wei Q; Wang A; Wu J; Ruan K Biochim Biophys Acta Gen Subj; 2017 Jan; 1861(1 Pt A):3061-3070. PubMed ID: 27721047 [TBL] [Abstract][Full Text] [Related]
9. Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations. Raman EP; Yu W; Guvench O; Mackerell AD J Chem Inf Model; 2011 Apr; 51(4):877-96. PubMed ID: 21456594 [TBL] [Abstract][Full Text] [Related]
10. Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations. Pan AC; Xu H; Palpant T; Shaw DE J Chem Theory Comput; 2017 Jul; 13(7):3372-3377. PubMed ID: 28582625 [TBL] [Abstract][Full Text] [Related]
11. Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Spiliotopoulos D; Zhu J; Wamhoff EC; Deerain N; Marchand JR; Aretz J; Rademacher C; Caflisch A Bioorg Med Chem Lett; 2017 Jun; 27(11):2472-2478. PubMed ID: 28410781 [TBL] [Abstract][Full Text] [Related]
12. Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90. Riccardi Sirtori F; Caronni D; Colombo M; Dalvit C; Paolucci M; Regazzoni L; Visco C; Fogliatto G Eur J Pharm Sci; 2015 Aug; 76():83-94. PubMed ID: 25952103 [TBL] [Abstract][Full Text] [Related]
13. The rise of fragment-based drug discovery. Murray CW; Rees DC Nat Chem; 2009 Jun; 1(3):187-92. PubMed ID: 21378847 [TBL] [Abstract][Full Text] [Related]
14. Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches. Raman EP; Lakkaraju SK; Denny RA; MacKerell AD J Comput Chem; 2017 Jun; 38(15):1238-1251. PubMed ID: 27782307 [TBL] [Abstract][Full Text] [Related]
15. Virtual fragment preparation for computational fragment-based drug design. Ludington JL Methods Mol Biol; 2015; 1289():31-41. PubMed ID: 25709031 [TBL] [Abstract][Full Text] [Related]
16. High-Throughput Screening by Nuclear Magnetic Resonance (HTS by NMR) for the Identification of PPIs Antagonists. Wu B; Barile E; De SK; Wei J; Purves A; Pellecchia M Curr Top Med Chem; 2015; 15(20):2032-42. PubMed ID: 25986689 [TBL] [Abstract][Full Text] [Related]
17. Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots). MacKerell AD; Jo S; Lakkaraju SK; Lind C; Yu W Biochim Biophys Acta Gen Subj; 2020 Apr; 1864(4):129519. PubMed ID: 31911242 [TBL] [Abstract][Full Text] [Related]
18. A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery. Li Q; Kang C Molecules; 2020 Jun; 25(13):. PubMed ID: 32605297 [TBL] [Abstract][Full Text] [Related]
19. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE. Hoffer L; Renaud JP; Horvath D J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132 [TBL] [Abstract][Full Text] [Related]
20. Protein X-ray Crystallography and Drug Discovery. Maveyraud L; Mourey L Molecules; 2020 Feb; 25(5):. PubMed ID: 32106588 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]