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Protein structure databases

Comprehensive characterization of coding and non-coding single nucleotide polymorphisms of the Myoneurin (MYNN) gene using molecular dynamics simulation and docking approaches

Sadia Islam Mou, Tamanna Sultana, [ ... ], Md. Ismail Hosen

SCGG: A deep structure-conditioned graph generative model

Faezeh Faez, Negin Hashemi Dijujin, Mahdieh Soleymani Baghshah, Hamid R. Rabiee

Design and synthesis of multi-functional small-molecule based inhibitors of amyloid-β aggregation: Molecular modeling and in vitro evaluation

Awwad A. Radwan, Fars K. Alanazi, Mohammad Raish

Molecular dynamics of the ERRγ ligand-binding domain bound with agonist and inverse agonist

Santanu Sasidharan, Kamalakannan Radhakrishnan, [ ... ], Donghyun Shin

Structural systems pharmacology: A framework for integrating metabolic network and structure-based virtual screening for drug discovery against bacteria

Elmira Nazarshodeh, Sayed-Amir Marashi, Sajjad Gharaghani

Edge-enhanced interaction graph network for protein-ligand binding affinity prediction

Dinghai Yang, Linai Kuang, An Hu

MCPdb: The bacterial microcompartment database

Jessica M. Ochoa, Kaylie Bair, [ ... ], Todd O. Yeates

Detection, Characterization and Evolution of Internal Repeats in Chitinases of Known 3-D Structure

Manigandan Sivaji, Vinoth Sadasivam, [ ... ], Chuanzhu Fan

Mass spectrometry-based quantification of the cellular response to ultraviolet radiation in HeLa cells

Hong Xu, Xuanyi Chen, [ ... ], Yuejin Hua

An Accurate Model for Biomolecular Helices and Its Application to Helix Visualization

Lincong Wang, Hui Qiao, [ ... ], Shuxue Zou

Investigation of biometabolites and novel antimicrobial peptides derived from promising source Cordyceps militaris and effect of non-small cell lung cancer genes computationally

Muhammad Afzal, Mai Abdel Haleem A. Abusalah, [ ... ], Kirnpal Kaur Banga Singh

Navigating the unstructured by evaluating alphafold’s efficacy in predicting missing residues and structural disorder in proteins

Sen Zheng

Interleukin-10 as Covid-19 biomarker targeting KSK and its analogues: Integrated network pharmacology

Vidhya Rajalakshmi V., Akilandeswari Ramu, [ ... ], Thangavelu Sathiamoorthi

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