Detalhe da pesquisa
1.
On Ternary Complex Stability in Protein Degradation: In Silico Molecular Glue Binding Affinity Calculations.
J Chem Inf Model
; 63(8): 2382-2392, 2023 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37037192
2.
Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor.
Proc Natl Acad Sci U S A
; 115(10): E2419-E2428, 2018 03 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29453275
3.
Millisecond dynamics of RNA polymerase II translocation at atomic resolution.
Proc Natl Acad Sci U S A
; 111(21): 7665-70, 2014 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24753580
4.
GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking.
J Chem Inf Model
; 56(4): 642-51, 2016 04 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26958710
5.
Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case.
J Chem Inf Model
; 55(9): 1857-66, 2015 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26335976
6.
Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4.
Proc Natl Acad Sci U S A
; 109(14): 5517-22, 2012 Apr 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-22431600
7.
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
J Comput Aided Mol Des
; 28(3): 201-9, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-24515818
8.
Balanced Permeability Index: A Multiparameter Index for Improved In Vitro Permeability.
ACS Med Chem Lett
; 15(4): 457-462, 2024 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38628792
9.
Trends in Neosubstrate Degradation by Cereblon-Based Molecular Glues and the Development of Novel Multiparameter Optimization Scores.
J Med Chem
; 67(2): 1327-1335, 2024 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38170610
10.
Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J Med Chem
; 67(4): 2321-2336, 2024 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38300987
11.
Muscarinic receptors as model targets and antitargets for structure-based ligand discovery.
Mol Pharmacol
; 84(4): 528-40, 2013 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-23887926
12.
RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription.
Proc Natl Acad Sci U S A
; 107(36): 15745-50, 2010 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20798057
13.
Optimized torsion-angle normal modes reproduce conformational changes more accurately than cartesian modes.
Biophys J
; 101(12): 2966-9, 2011 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-22208195
14.
How hydrophobic buckminsterfullerene affects surrounding water structure.
J Phys Chem B
; 112(10): 2981-90, 2008 Mar 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-18275178
15.
Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.
J Med Chem
; 61(15): 6830-6845, 2018 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29990431
16.
Structures of mGluRs shed light on the challenges of drug development of allosteric modulators.
Curr Opin Pharmacol
; 20: 1-7, 2015 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-25462286
17.
Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors A Structural Perspective of Ligands and Mutants.
Sci Rep
; 5: 13869, 2015 Sep 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-26359761
18.
Morphing methods to visualize coarse-grained protein dynamics.
Methods Mol Biol
; 1084: 271-82, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24061927
19.
Conformation guides molecular efficacy in docking screens of activated ß-2 adrenergic G protein coupled receptor.
ACS Chem Biol
; 8(5): 1018-26, 2013 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-23485065
20.
Can morphing methods predict intermediate structures?
J Mol Biol
; 385(2): 665-74, 2009 Jan 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-18996395