Detalhe da pesquisa
1.
Ligand and Target Discovery by Fragment-Based Screening in Human Cells.
Cell
; 168(3): 527-541.e29, 2017 01 26.
Artigo
Inglês
| MEDLINE | ID: mdl-28111073
2.
Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction.
J Chem Inf Model
; 61(12): 5948-5966, 2021 12 27.
Artigo
Inglês
| MEDLINE | ID: mdl-34890185
3.
Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg Med Chem Lett
; 30(22): 127531, 2020 11 15.
Artigo
Inglês
| MEDLINE | ID: mdl-32890685
4.
Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory.
J Chem Phys
; 152(7): 074103, 2020 Feb 21.
Artigo
Inglês
| MEDLINE | ID: mdl-32087645
5.
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction.
J Comput Aided Mol Des
; 33(10): 865-886, 2019 10.
Artigo
Inglês
| MEDLINE | ID: mdl-31650386
6.
Tyrosine Kinase 2-mediated Signal Transduction in T Lymphocytes Is Blocked by Pharmacological Stabilization of Its Pseudokinase Domain.
J Biol Chem
; 290(17): 11061-74, 2015 Apr 24.
Artigo
Inglês
| MEDLINE | ID: mdl-25762719
7.
3D matched pairs: integrating ligand- and structure-based knowledge for ligand design and receptor annotation.
J Chem Inf Model
; 53(7): 1576-88, 2013 Jul 22.
Artigo
Inglês
| MEDLINE | ID: mdl-23809058
8.
Aspartic Acid Isomerization Characterized by High Definition Mass Spectrometry Significantly Alters the Bioactivity of a Novel Toxin from Poecilotheria.
Toxins (Basel)
; 12(4)2020 03 25.
Artigo
Inglês
| MEDLINE | ID: mdl-32218140
9.
Downregulation of vascular endothelial growth factor and induction of tumor dormancy by 15-lipoxygenase-2 in prostate cancer.
Int J Cancer
; 124(7): 1545-51, 2009 Apr 01.
Artigo
Inglês
| MEDLINE | ID: mdl-19089921
10.
Grid computing in large pharmaceutical molecular modeling.
Drug Discov Today
; 13(13-14): 578-83, 2008 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-18598912
11.
A simple strategy for mitigating the effect of data variability on the identification of active chemotypes from high-throughput screening data.
J Biomol Screen
; 12(2): 276-84, 2007 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-17272827
12.
Development of an in silico model for predicting efflux substrates in Caco-2 cells.
Int J Pharm
; 343(1-2): 98-105, 2007 Oct 01.
Artigo
Inglês
| MEDLINE | ID: mdl-17583455
13.
A reexamination of poneratoxin from the venom of the bullet ant Paraponera clavata.
Peptides
; 98: 51-62, 2017 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-27266841
14.
Boosting Endogenous Resistance of Brain to Ischemia.
Mol Neurobiol
; 54(3): 2045-2059, 2017 04.
Artigo
Inglês
| MEDLINE | ID: mdl-26910820
15.
NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein.
J Med Chem
; 49(16): 5013-7, 2006 Aug 10.
Artigo
Inglês
| MEDLINE | ID: mdl-16884313
16.
Serial biopsies/fine-needle aspirates and their assessment.
Methods Mol Med
; 120: 29-41, 2006.
Artigo
Inglês
| MEDLINE | ID: mdl-16491590
17.
Benzonatate inhibition of voltage-gated sodium currents.
Neuropharmacology
; 101: 179-87, 2016 Feb.
Artigo
Inglês
| MEDLINE | ID: mdl-26386152
18.
Molecular properties that influence the oral bioavailability of drug candidates.
J Med Chem
; 45(12): 2615-23, 2002 Jun 06.
Artigo
Inglês
| MEDLINE | ID: mdl-12036371
19.
An online system for metabolic network analysis.
Database (Oxford)
; 20142014.
Artigo
Inglês
| MEDLINE | ID: mdl-25267793
20.
iPathCase(KEGG): An iPad interface for KEGG metabolic pathways.
Health Inf Sci Syst
; 1: 4, 2013.
Artigo
Inglês
| MEDLINE | ID: mdl-25825656