Detalhe da pesquisa
1.
Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning.
Bioinformatics;
38(4): 1110-1117, 2022 01 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34849593
2.
CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides.
J Chem Inf Model;
63(7): 2240-2250, 2023 04 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36930969
3.
Design of Cyclic Peptides Targeting Protein-Protein Interactions Using AlphaFold.
Int J Mol Sci;
24(17)2023 Aug 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37686057
4.
Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties.
Molecules;
28(15)2023 Jul 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37570623
5.
Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.
J Chem Inf Model;
62(18): 4549-4560, 2022 09 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36053061
6.
Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations.
J Chem Inf Model;
61(7): 3681-3695, 2021 07 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34236179
7.
Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions.
Int J Mol Sci;
22(20)2021 Oct 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34681589
8.
Taxonomic and Gene Category Analyses of Subgingival Plaques from a Group of Japanese Individuals with and without Periodontitis.
Int J Mol Sci;
22(10)2021 May 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34069916
9.
QEX: target-specific druglikeness filter enhances ligand-based virtual screening.
Mol Divers;
23(1): 11-18, 2019 Feb.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29971617
10.
MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.
BMC Bioinformatics;
19(Suppl 4): 62, 2018 05 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29745830
11.
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques.
BMC Bioinformatics;
19(Suppl 19): 527, 2018 Dec 31.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30598072
12.
Spresso: an ultrafast compound pre-screening method based on compound decomposition.
Bioinformatics;
33(23): 3836-3843, 2017 Dec 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28369284
13.
MEGADOCK 4.0: an ultra-high-performance protein-protein docking software for heterogeneous supercomputers.
Bioinformatics;
30(22): 3281-3, 2014 Nov 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25100686
14.
SpatialPPI: Three-dimensional space protein-protein interaction prediction with AlphaFold Multimer.
Comput Struct Biotechnol J;
23: 1214-1225, 2024 Dec.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38545599
15.
Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX.
Commun Chem;
7(1): 74, 2024 Apr 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38580841
16.
MEGADOCK-on-Colab: an easy-to-use protein-protein docking tool on Google Colaboratory.
BMC Res Notes;
16(1): 229, 2023 Sep 22.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37737185
17.
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity.
Commun Chem;
6(1): 249, 2023 Nov 16.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37973971
18.
Solubility-Aware Protein Binding Peptide Design Using AlphaFold.
Biomedicines;
10(7)2022 Jul 07.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35884931
19.
Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation.
ACS Omega;
7(34): 30265-30274, 2022 Aug 30.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36061673
20.
Docking-calculation-based method for predicting protein-RNA interactions.
Genome Inform;
25(1): 25-39, 2011.
Artigo
em Inglês
| MEDLINE
| ID: mdl-22230937