Detalhe da pesquisa
1.
Structural basis of species-selective antagonist binding to the succinate receptor.
Nature
; 574(7779): 581-585, 2019 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31645725
2.
PREFER: A New Predictive Modeling Framework for Molecular Discovery.
J Chem Inf Model
; 63(15): 4497-4504, 2023 08 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37487018
3.
Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc Natl Acad Sci U S A
; 116(16): 7926-7931, 2019 04 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-30926668
4.
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities.
J Comput Aided Mol Des
; 35(6): 737-750, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34050420
5.
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks.
J Chem Inf Model
; 59(4): 1347-1356, 2019 04 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-30908913
6.
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg Med Chem Lett
; 28(5): 906-909, 2018 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29433930
7.
Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg Med Chem Lett
; 25(3): 438-43, 2015 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-25571794
8.
Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg Med Chem Lett
; 24(3): 731-6, 2014 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-24439847
9.
Practical Aspects of Machine Learning for the Design-Synthesis-Purify-Assay Workflow.
Chimia (Aarau)
; 72(9): 648-649, 2018 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30257744
10.
Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models.
J Med Chem
; 66(20): 14047-14060, 2023 10 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37815201
11.
Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes.
Bioorg Med Chem Lett
; 22(3): 1464-8, 2012 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22177783
12.
Chemical Reactivity Prediction: Current Methods and Different Application Areas.
Mol Inform
; 41(6): e2100277, 2022 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34964302
13.
Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J Med Chem
; 63(11): 5697-5722, 2020 06 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32073845
14.
Medicinal Chemistry Aware Database GDBMedChem.
Mol Inform
; 38(8-9): e1900031, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31169974
15.
Building Compound Archives for the Future.
Mol Inform
; 35(11-12): 580-582, 2016 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27870238
16.
Magnetic effects of disulfide bridges: a density functional and semiempirical study.
J Phys Chem B
; 109(8): 3627-38, 2005 Mar 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-16851401
17.
Functionality maps of the ATP binding site of DNA gyrase B: generation of a consensus model of ligand binding.
J Med Chem
; 47(18): 4373-90, 2004 Aug 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-15317451
18.
Discovery and structure-based optimization of adenain inhibitors.
ACS Med Chem Lett
; 5(8): 937-41, 2014 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25147618
19.
Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development.
J Med Chem
; 56(3): 735-47, 2013 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23339734
20.
Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking.
ChemMedChem
; 4(8): 1264-8, 2009 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-19514026