Detalhe da pesquisa
1.
Targeting CDK9 Reactivates Epigenetically Silenced Genes in Cancer.
Cell
; 175(5): 1244-1258.e26, 2018 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30454645
2.
Macromolecular modeling and design in Rosetta: recent methods and frameworks.
Nat Methods
; 17(7): 665-680, 2020 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32483333
3.
The role of NSD1, NSD2, and NSD3 histone methyltransferases in solid tumors.
Cell Mol Life Sci
; 79(6): 285, 2022 May 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35532818
4.
Machine learning classification can reduce false positives in structure-based virtual screening.
Proc Natl Acad Sci U S A
; 117(31): 18477-18488, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32669436
5.
A clinically relevant polymorphism in the Na+/taurocholate cotransporting polypeptide (NTCP) occurs at a rheostat position.
J Biol Chem
; 296: 100047, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33168628
6.
Structural Plasticity Is a Feature of Rheostat Positions in the Human Na+/Taurocholate Cotransporting Polypeptide (NTCP).
Int J Mol Sci
; 23(6)2022 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35328632
7.
Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging.
J Chem Inf Model
; 61(12): 5967-5987, 2021 12 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34762402
8.
Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta.
J Chem Inf Model
; 61(3): 1368-1382, 2021 03 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33625214
9.
A de novo protein binding pair by computational design and directed evolution.
Mol Cell
; 42(2): 250-60, 2011 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-21458342
10.
Promysalin Elicits Species-Selective Inhibition of Pseudomonas aeruginosa by Targeting Succinate Dehydrogenase.
J Am Chem Soc
; 140(5): 1774-1782, 2018 02 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29300464
11.
Natural product derivative Gossypolone inhibits Musashi family of RNA-binding proteins.
BMC Cancer
; 18(1): 809, 2018 Aug 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30097032
12.
Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins
; 85(11): 1994-2008, 2017 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-28718923
13.
"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.
J Comput Chem
; 38(16): 1321-1331, 2017 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28318014
14.
Optimal allosteric stabilization sites using contact stabilization analysis.
J Comput Chem
; 38(15): 1138-1146, 2017 06 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-27774625
15.
Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation.
Nature
; 475(7354): 96-100, 2011 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21677644
16.
Chaperonin-Based Biolayer Interferometry To Assess the Kinetic Stability of Metastable, Aggregation-Prone Proteins.
Biochemistry
; 55(35): 4885-908, 2016 09 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27505032
17.
Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations.
PLoS Comput Biol
; 11(2): e1004081, 2015 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-25706586
18.
Ultra-High-Throughput Structure-Based Virtual Screening for Small-Molecule Inhibitors of Protein-Protein Interactions.
J Chem Inf Model
; 56(2): 399-411, 2016 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-26726827
19.
Druggable protein interaction sites are more predisposed to surface pocket formation than the rest of the protein surface.
PLoS Comput Biol
; 9(3): e1002951, 2013.
Artigo
em Inglês
| MEDLINE | ID: mdl-23505360
20.
PPIscreenML: Structure-based screening for protein-protein interactions using AlphaFold.
bioRxiv
; 2024 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38559274