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Protein structure databases

Assessing anti oxidant, antidiabetic potential and GCMS profiling of ethanolic root bark extract of Zanthoxylum rhetsa (Roxb.) DC: Supported by in vitro, in vivo and in silico molecular modeling

Apurba Kumar Barman, Sumaiya Mahadi, [ ... ], A. S. M. Monjur Al Hossain

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

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

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

An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy

Sarah Abdolmaleki, Mazdak Ganjalikhani hakemi, Mohamad Reza Ganjalikhany

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

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

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

SCGG: A deep structure-conditioned graph generative model

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

MCPdb: The bacterial microcompartment database

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

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

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

DisoMCS: Accurately Predicting Protein Intrinsically Disordered Regions Using a Multi-Class Conservative Score Approach

Zhiheng Wang, Qianqian Yang, Tonghua Li, Peisheng Cong

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

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

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

Evidence for Positive Selection within the PgiC1 Locus in the Grass Festuca ovina

Yuan Li, Björn Canbäck, [ ... ], Honor C. Prentice

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