ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design حسب Shu-Sen Chen (1777108)

الموضوعات:

Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF حسب Maya Khatun (7437011)

"…This method is implemented in PyAR (https://github.com/anooplab/pyar) program. The global optimization in PyAR involves two parts, generation of several trial geometries and gradient-based local optimization of the trial geometries. …"

Optimal 8-mer and 9-mer SARS-CoV-2 epitope identification. حسب Mariah Hassert (5746874)

"…As controls for strong Kb and Db binders respectively, Ova peptide and ZIKV E294 were input into the same algorithm. Optimal peptide epitopes are highlighted based on functional T cell data in combination with RMA-S stabilization assay data.…"

Seed mix selection model حسب Bethanne Bruninga-Socolar (10923639)

"…</p> <p>  </p> <p>We applied the seed mix selection model using a binary genetic algorithm to select seed mixes (R package ‘GA’; Scrucca 2013; Scrucca 2017). …"

Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products حسب Jarrett M. Pelton (18143785)

"…To assess the peptide NP space that is directly accessible to current cell-free technologies, we developed a peptide parsing algorithm that breaks down peptide NPs into building blocks based on ribosomal translation logic. …"

ECE6327_SmartGrid حسب Xingpeng Li (11825663)

Phylogenetic history of genes 5 and 11 in three related genomes. حسب Geleta Dugassa Barka (9099456)

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential حسب Fengyang Han (14613218)

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential حسب Fengyang Han (14613218)

primary ATRT single cell RNA-seq حسب Mamy ANDRIANTERANAGNA (12913196)

"…</p> <p>scRNA-seq data integration was performed using the CCA-based implemented in Seurat version 3. The clustering was conducted using the graph-based modularity optimization Louvain algorithm implemented in Seurat v3. …"

DataSheet1_Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.docx حسب Sergei Evteev (18294157)

primary mouse RT single cell RNA-seq حسب Mamy ANDRIANTERANAGNA (12913196)

"…The clustering was conducted using the graph-based modularity optimization Louvain algorithm implemented in Seurat v3. …"

DataSheet1_Large-Scale Heterogeneous Computing for 3D Deterministic Particle Transport on Tianhe-2A Supercomputer.zip حسب Biao Li (36684)

Table_3_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.xlsx حسب Qian Wang (32718)

Image_1_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.jpeg حسب Qian Wang (32718)

Image_2_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.jpeg حسب Qian Wang (32718)

DataSheet_1_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.docx حسب Qian Wang (32718)

Image_3_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.jpeg حسب Qian Wang (32718)

Table_4_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.xlsx حسب Qian Wang (32718)

Table_2_G2P Provides an Integrative Environment for Multi-model genomic selection analysis to improve genotype-to-phenotype prediction.xlsx حسب Qian Wang (32718)