Computational Pipeline for Accelerating the Design of Glycomimetics حسب Yao Xiao (227567)

"…The GA-generated structures were then subjected to molecular dynamics (MD) simulation, and the performance was evaluated for three post-MD approaches to computing interaction energies: the scoring function from AutoDock Vina-Carb, as well as the generalized Born and Poisson–Boltzmann surface area (GBSA/PBSA) implementations within the AMBER molecular mechanical (MM) force field. …"

Network Structure of Primary Component Contrastive learning (PiCCL). حسب Yiming Kuang (22120458)

"…<p>PiCCL is a multiview contrastive learning algorithm, <i>P</i> views are generated from each sample image and fed into a multiplex Siamese network. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

High-Coverage Stereoproteome Mapping Uncovers Pervasive Protein Stereoisomerization Associated with Neurodegeneration حسب Xia Xu (83500)

"…This method employs multidimensional isomeric separation, advanced algorithms, and stereoisomer-specific retention time shifts. …"

Table 1_SRC is a potential target of Arctigenin in treating triple-negative breast cancer: based on machine learning algorithms, molecular modeling and in Vitro test.xlsx حسب Yuezhou Huang (9998177)

"…</p>Results<p>Our study identified 183 AG-related targets, 5,193 differentially expressed genes, and 6,173 co-expression module genes associated with TNBC. Machine learning algorithms pinpointed 4 hub genes from 28 intersecting targets. …"

Table 2_SRC is a potential target of Arctigenin in treating triple-negative breast cancer: based on machine learning algorithms, molecular modeling and in Vitro test.xlsx حسب Yuezhou Huang (9998177)

"…</p>Results<p>Our study identified 183 AG-related targets, 5,193 differentially expressed genes, and 6,173 co-expression module genes associated with TNBC. Machine learning algorithms pinpointed 4 hub genes from 28 intersecting targets. …"

Table 3_SRC is a potential target of Arctigenin in treating triple-negative breast cancer: based on machine learning algorithms, molecular modeling and in Vitro test.docx حسب Yuezhou Huang (9998177)

"…</p>Results<p>Our study identified 183 AG-related targets, 5,193 differentially expressed genes, and 6,173 co-expression module genes associated with TNBC. Machine learning algorithms pinpointed 4 hub genes from 28 intersecting targets. …"

Data Sheet 1_Identification of novel lipid metabolism-related biomarkers of aortic dissection by integrating single-cell RNA sequencing analysis and machine learning algorithms.zip حسب Zhechen Li (15456929)

"…Single-cell RNA sequencing data from aortic dissection and control samples were processed to analyze lipid metabolism activity and identify differentially expressed genes. …"

The parthanatos-related gene signatures. حسب Xiangxin Wu (22320058)

"…Moreover, single-cell RNA sequencing and <i><i>in vitro</i></i> functional assays were conducted to explore cellular heterogeneity and gene function. …"

Quantum Simulation of Molecular Dynamics ProcessesA Benchmark Study Using a Classical Simulator and Present-Day Quantum Hardware حسب Tamila Kuanysheva (21546962)

"…Although Qiskit provides a general method for initializing wave functions, in most cases it generates deep quantum circuits. …"

archive.zip حسب Tasneem Fatima (21976946)

Development and characterization of a cell-type-specific gene expression reference panel from single-nucleus RNA sequencing (snRNAseq). حسب Brian Gural (21781982)

Data Sheet 1_Optimal allocation of renewable energy sources and power filters in unbalanced distribution systems with nonlinear loads under load growth condition.docx حسب Lavanya Arubolu (22500008)

"…This study uses probability distribution functions to simulate the fluctuating nature of RES and load. …"

Supplemental files to the study "Limitations of Current Machine-Learning Models in Predicting Enzymatic Functions for Uncharacterized Proteins" حسب Valerie de Crecy-Lagard (12823436)

"…Machine-Learning (ML) approaches are enticing, with early successes demonstrating the ability to propagate functional knowledge from experimentally characterized proteins. …"

Unsupervised Machine Learning for Differential Analysis in Proteomics حسب Guanyang Xu (22379531)

"…Using <i>in silico</i> simulated data sets derived from experimental data, we enabled cross-algorithm comparability through a probability based transformation. …"

Identification and enrichment analysis of the TMGs. حسب Ravinder Sharma (13154079)