筛选条件 共查询到42条结果
排序方式
ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study

期刊: MOLECULAR INFORMATICS, 2021; 40 (9)

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) continues to be a global threat, causing millions of deaths worldwide. SARS-CoV-2 is an e......

A Novel Model Integration Network Inference Algorithm with Clustering and Hub Genes Finding

期刊: MOLECULAR INFORMATICS, 2020; 39 (5)

Gene regulatory network Inference with high accuracy based on gene expression data sets is one of the most challenging problems in computational biolo......

Assessing Graph-based Deep Learning Models for Predicting Flash Point

期刊: MOLECULAR INFORMATICS, 2020; 39 (6)

Flash points of organic molecules play an important role in preventing flammability hazards and large databases of measured values exist, although mil......

Identification of the Apoptosis and Autophagy Bi-functional Proteins

期刊: MOLECULAR INFORMATICS, 2020; 39 (3)

Although autophagy and apoptosis, two main kinds of programmed cell death, constitute distinct cellular processes with often opposing outcomes, there ......

Sequence-based Detection of DNA-binding Proteins using Multiple-View Features Allied with Feature Selection

期刊: MOLECULAR INFORMATICS, 2020; 39 (8)

DNA-binding proteins play essential roles in many molecular functions and gene regulation. Therefore, it becomes highly desirable to develop effective......

In Silico Prediction of Metabolic Epoxidation for Drug-like Molecules via Machine Learning Methods

期刊: MOLECULAR INFORMATICS, 2020; 39 (8)

Epoxidation is one of the reactions in drug metabolism. Since epoxide metabolites would bind with proteins or DNA covalently, drugs should avoid epoxi......

BlastGUI: A Python-based Cross-platform Local BLAST Visualization Software

期刊: MOLECULAR INFORMATICS, 2020; 39 (4)

Many researchers use BLAST+ software to build databases and perform sequence alignments. However, command-line operations are required and this create......

Privileged Scaffold Analysis of Natural Products with Deep Learning-based Indication Prediction Model

期刊: MOLECULAR INFORMATICS, 2020; 39 (11)

Natural products play a vital role in the drug discovery and development process as an important source of reliable and novel lead structures. But the......

Accurate Identification of Human Phosphorylated Proteins by Ensembling Supervised Kernel Self-organizing Maps

期刊: MOLECULAR INFORMATICS, 2020; 39 (7)

Protein phosphorylation is a vital physiological process, which plays a critical role in controlling survival differentiation, cell growth, metabolism......

Estimation of Ionic Liquids Toxicity against Leukemia Rat Cell Line IPC-81 based on the Empirical-like Models using Intuitive and Explainable Fingerprint Descriptors

期刊: MOLECULAR INFORMATICS, 2020; 39 (10)

Ionic liquids as green solvents have been paid extensive attention in recent years. However, mostly it is cost and time-consuming to measure their pro......

QSAR Analysis of a Series of Hydantoin-based Androgen Receptor Modulators and Corresponding Binding Affinities

期刊: MOLECULAR INFORMATICS, 2019; 38 (8-9)

Androgen receptor (AR), a member of the nuclear hormone receptor superfamily of intracellular ligand-dependent transcription factors, plays an indispe......

JIF:2.38

Molecular Dynamics Simulations Study on the Resistant Mechanism of Insects to Imidacloprid due to Y151-S and R81T Mutations in nAChRs

期刊: MOLECULAR INFORMATICS, 2019; 38 (8-9)

Imidacloprid (IMI) is the first widely used neonicotinoid insecticide due to its high insecticidal activity and low toxicity. However, as its extensiv......

JIF:2.38

Molecular Dynamics Simulations Study on the Resistant Mechanism of Insects to Imidacloprid due to Y151-S and R81T Mutations in nAChRs

期刊: MOLECULAR INFORMATICS, 0; ()

Imidacloprid (IMI) is the first widely used neonicotinoid insecticide due to its high insecticidal activity and low toxicity. However, as its extensiv......

RadAA: A Command-line Tool for Identification of Radical Amino Acid Changes in Multiple Sequence Alignments

期刊: MOLECULAR INFORMATICS, 2019; 38 (1-2)

High-throughput sequencing has revolutionised biology and medicine. Numerous genomes and transcriptome assemblies are now available, and these genomic......

JIF:2.38

The Alkanes with Maximum Wiener Polarity Index

期刊: MOLECULAR INFORMATICS, 2019; 38 (1-2)

The Wiener polarity index (usually denoted by W-p) of an alkane is the number of unordered pairs of carbon atoms which are separated by three carbon-c......

JIF:2.38

共42条页码: 1/3页15条/页