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Protein structure databases

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

Santanu Sasidharan, Kamalakannan Radhakrishnan, Jun-Yeong Lee, Prakash Saudagar, Vijayakumar Gosu, Donghyun Shin

published 06 Apr 2023

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

Vidhya Rajalakshmi V., Akilandeswari Ramu, Jayaprakash Chinnappan, Palanivel Velmurugan, Rajiv Pathak, Rami Adel Pashameah, Atif Abdulwahab A. Oyouni, Osama M. Al-Amer, Mohammed I. Alasseiri, Abdullah Hamadi, Mansuor A. Alanazi, Thangavelu Sathiamoorthi

published 29 Mar 2023

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Using AlphaFold to predict the impact of single mutations on protein stability and function

Marina A. Pak, Karina A. Markhieva, Mariia S. Novikova, Dmitry S. Petrov, Ilya S. Vorobyev, Ekaterina S. Maksimova, Fyodor A. Kondrashov, Dmitry N. Ivankov

published 16 Mar 2023

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B-cell epitope discovery: The first protein flexibility-based algorithm–Zika virus conserved epitope demonstration

Daniel W. Biner, Jason S. Grosch, Peter J. Ortoleva

published 15 Mar 2023

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Identification of potential therapeutic intervening targets by in-silico analysis of nsSNPs in preterm birth-related genes

Muhammad Bilal Azmi, Waqasuddin Khan, M. Kamran Azim, Muhammad Imran Nisar, Fyezah Jehan

published 07 Mar 2023

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Roadmap to the study of gene and protein phylogeny and evolution—A practical guide

Florian Jacques, Paulina Bolivar, Kristian Pietras, Emma U. Hammarlund

published 24 Feb 2023

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Machine learning models exploring characteristic single-nucleotide signatures in yellow fever virus

Álvaro Salgado, Raquel C. de Melo-Minardi, Marta Giovanetti, Adriano Veloso, Francielly Morais-Rodrigues, Talita Adelino, Ronaldo de Jesus, Stephane Tosta, Vasco Azevedo, José Lourenco, Luiz Carlos J. Alcantara

published 12 Dec 2022

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SCGG: A deep structure-conditioned graph generative model

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

published 21 Nov 2022

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Data platforms for open life sciences–A systematic analysis of management instruments

Daniel Laufs, Mareike Peters, Carsten Schultz

published 25 Oct 2022

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Characterization of peptide-protein relationships in protein ambiguity groups via bipartite graphs

Karin Schork, Michael Turewicz, Julian Uszkoreit, Jörg Rahnenführer, Martin Eisenacher

published 21 Oct 2022

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New insights into disordered proteins and regions according to the FOD-M model

Irena Roterman, Katarzyna Stapor, Piotr Fabian, Leszek Konieczny

published 10 Oct 2022

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Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies

Hittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudarshana Brijesh Singh, Chandan Shivamallu, Sushma Pradeep, C. S. Shivakumar, Satish Anandan, Anjana Thampy, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Shiva Prasad Kollur, Daniel Glossman-Mitnik

published 06 Oct 2022

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The comparative genomic analysis provides insights into the phylogeny and virulence of tick-borne encephalitis virus vaccine strain Senzhang

Meng Zhang, Jingyong Tian, Hongying Li, Ming Cang

published 26 Aug 2022

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