Detalles de la búsqueda
1.
Exploring the Role of Non-synonymous and Deleterious Variants Identified in Colorectal Cancer: A Multi-dimensional Computational Scrutiny of Exomes.
Curr Genomics
; 25(1): 41-64, 2024 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38544823
2.
Computational design of prospective molecular targets for Burkholderia cepacia complex by molecular docking and dynamic simulation studies.
Proteins
; 91(6): 724-738, 2023 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-36601892
3.
De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein.
Curr Issues Mol Biol
; 45(5): 4261-4284, 2023 May 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37232740
4.
Implementation of ensemble machine learning algorithms on exome datasets for predicting early diagnosis of cancers.
BMC Bioinformatics
; 23(1): 496, 2022 Nov 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-36401182
5.
Transcriptomic responses under combined bacterial blight and drought stress in rice reveal potential genes to improve multi-stress tolerance.
BMC Plant Biol
; 22(1): 349, 2022 Jul 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-35850621
6.
Mycobacterium Time-Series Genome Analysis Identifies AAC2' as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism.
Molecules
; 27(19)2022 Sep 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-36234683
7.
Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells.
Molecules
; 28(1)2022 Dec 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-36615284
8.
Molecular Docking and Interaction Studies of Identified Abscisic Acid Receptors in Oryza sativa: An In-Silico Perspective on Comprehending Stress Tolerance Mechanisms.
Curr Genomics
; 22(8): 607-619, 2021 Dec 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-35386188
9.
Quantum synergy in peptide folding: A comparative study of CVaR-variational quantum eigensolver and molecular dynamics simulation.
Int J Biol Macromol
; 273(Pt 1): 133033, 2024 Jun 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38862055
10.
Disaggregation of amyloid-beta fibrils via natural metabolites using long timescale replica exchange molecular dynamics simulation studies.
J Mol Model
; 30(3): 61, 2024 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-38321243
11.
Computational molecular perspectives on novel carbazole derivative as an anti-cancer molecule against CDK1 of breast and colorectal cancers via gene expression studies, novel two-way docking strategies, molecular mechanics and dynamics.
Comput Biol Chem
; 108: 107979, 2024 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-37989072
12.
Unraveling the regulatory landscape of Parkinson disease: A molecular symphony of miRNAs, transcription factors, and high-risk genes.
Neurosci Lett
; 832: 137792, 2024 May 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-38677540
13.
Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS.
PLoS One
; 18(8): e0288264, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37535543
14.
A Machine Learning-Based Approach Using Multi-omics Data to Predict Metabolic Pathways.
Methods Mol Biol
; 2553: 441-452, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36227554
15.
Carboxymuconolactone decarboxylase is a prospective molecular target for multi-drug resistant Acinetobacter baumannii-computational modeling, molecular docking and dynamic simulation studies.
Comput Biol Med
; 157: 106793, 2023 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-36944292
16.
Comprehensive Molecular Interaction Studies to Construe the Repellent/Kill Activity of Geraniol During Binding Event Against Aedes aegypti Proteins.
Mol Biotechnol
; 65(5): 726-740, 2023 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-36169809
17.
Deciphering the interaction mechanism of natural actives against larval proteins of Aedes aegypti to identify potential larvicides: a computational biology analysis.
J Biomol Struct Dyn
; 41(22): 12480-12502, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36688316
18.
Design of Novel Imidazopyrazine Derivative against Breast Cancer via Targeted NPY1R Antagonist.
Anticancer Agents Med Chem
; 23(15): 1783-1793, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37151057
19.
Coumarin derivative as a potent drug candidate against triple negative breast cancer targeting the frizzled receptor of wingless-related integration site signaling pathway.
J Biomol Struct Dyn
; 41(5): 1561-1573, 2023 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-34984961
20.
Decision Support System and Web-Application Using Supervised Machine Learning Algorithms for Easy Cancer Classifications.
Cancer Inform
; 22: 11769351221147244, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36714384