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Protein structure

Integrative computational, synthetic, experimental evaluation of targeted inhibitors against matrix metalloproteinase-9: Toward precision modulation of proteolytic activity

Zainab Ahmed Rashid, Dima A. Sabbah, [ ... ], Sanaa K. Bardaweel

QuPepFold: A python package for hybrid quantum-classical protein folding simulations with CVaR-optimized VQE

Akshay Uttarkar, Vidya Niranjan, Amit Saxena, Vinay Kumar

Pathogenic KRAS variants disrupt structure and dynamics: Insights from integrated computational analyses

Saqib Ishaq, Aizaz Ali, [ ... ], Amin Ullah

Exploring the toxicological mechanisms of Benzo[a]anthracene (BaA) exposure in lung adenocarcinoma (LUAD) via network toxicology, machine learning, and multi-dimensional bioinformatics analysis

Zhiyao Shi, Zhiyong Fang, [ ... ], Xixing Wang

Proteomic profiling of a Sporobolomyces yeast reveals global responses to UV-B–induced oxidative stress

Ranko Gacesa, Raymond Chung, [ ... ], Paul F. Long

MAGIN-GO: Protein function prediction based on dual graph neural networks and gene ontology structure

Runxin Li, Wentao Xie, [ ... ], Wei Peng

Mapping SBiP1 protein-protein interactions in Symbiodinium microadriaticum CassKB8 using the Yeast Two-Hybrid assay and structural prediction

Estefanía Morales-Ruiz, Tania Islas-Flores, Marco A. Villanueva

In-silico identification of anti-cholera phytochemicals from Indian medicinal plants

Khalilur Rahman, Yasmin Akter, [ ... ], Md. Mamun Monir

Large-scale multi-omic biosequence transformers for modeling protein–nucleic acid interactions

Sully F. Chen, Robert J. Steele, [ ... ], Eric K. Oermann

In-silico characterization of deleterious non-synonymous SNPs in the human S1PR1 gene reveals structural instability and altered ligand affinity

Sangram Biswas, Dipankar Sardar, [ ... ], M. Nazmul Hoque

Exploration of a workflow for the classification and identification of co-purified protein complexes yields new structures and multiple MSP assembly states

Qingyang Zhang, Abhinandan Venkatesha Murthy, Carsten Mim

Genome-wide identification and multi-dimensional functional characterization of the SIR2 family in Brassica napus L.

Hanbing Hu, Ling He, [ ... ], Xiaoyun Liu

Potential mechanisms and effects of AFB₁-induced asthma: A comprehensive analysis based on network toxicology and molecular docking

Zhiyue Yu, Ming Gao, [ ... ], Limei Geng

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