Detalhe da pesquisa
1.
Chemical Multiverse and Diversity of Food Chemicals.
J Chem Inf Model
; 64(4): 1229-1244, 2024 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38356237
2.
Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 Mpro Inhibitors from Large Chemical Libraries.
J Chem Inf Model
; 64(6): 1984-1995, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38472094
3.
Toward α-1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6.
J Cell Biochem
; 124(8): 1173-1185, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37357420
4.
Sampling and Mapping Chemical Space with Extended Similarity Indices.
Molecules
; 28(17)2023 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37687162
5.
Extended connectivity interaction features: improving binding affinity prediction through chemical description.
Bioinformatics
; 37(10): 1376-1382, 2021 06 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33226061
6.
Diversity and Chemical Library Networks of Large Data Sets.
J Chem Inf Model
; 62(9): 2186-2201, 2022 05 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34723537
7.
Progress on open chemoinformatic tools for expanding and exploring the chemical space.
J Comput Aided Mol Des
; 36(5): 341-354, 2022 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34143323
8.
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
J Comput Aided Mol Des
; 36(9): 623-638, 2022 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36114380
9.
Application of the diagnostic criteria for Common Variable Immunodeficiency in resource-limited settings.
Allergol Immunopathol (Madr)
; 50(4): 129-136, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35789412
10.
A critical overview of computational approaches employed for COVID-19 drug discovery.
Chem Soc Rev
; 50(16): 9121-9151, 2021 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34212944
11.
Machine Learning Models to Predict Protein-Protein Interaction Inhibitors.
Molecules
; 27(22)2022 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-36432086
12.
7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1.
Molecules
; 27(9)2022 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35566242
13.
Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules.
J Chem Inf Model
; 61(4): 1550-1554, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33729791
14.
Informatics for Chemistry, Biology, and Biomedical Sciences.
J Chem Inf Model
; 61(1): 26-35, 2021 01 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33382611
15.
Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data.
Molecules
; 26(9)2021 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-33923169
16.
Hematopoietic Stem Cell Transplantation in Children with Inborn Errors of Immunity: a Multi-center Experience in Colombia.
J Clin Immunol
; 40(8): 1116-1123, 2020 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32880086
17.
From Qualitative to Quantitative Analysis of Activity and Property Landscapes.
J Chem Inf Model
; 60(12): 5873-5880, 2020 12 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33205984
18.
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach.
J Comput Aided Mol Des
; 34(6): 659-669, 2020 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32060676
19.
Computational-aided design of a library of lactams through a diversity-oriented synthesis strategy.
Bioorg Med Chem
; 28(12): 115539, 2020 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32503698
20.
Dimeric phenalenones from Talaromyces sp. (IQ-313) inhibit hPTP1B1-400: Insights into mechanistic kinetics from in vitro and in silico studies.
Bioorg Chem
; 101: 103893, 2020 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32492551