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Protein structure databases

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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Combining empirical knowledge, in silico molecular docking and ADMET profiling to identify therapeutic phytochemicals from Brucea antidysentrica for acute myeloid leukemia

Lemessa Etana Bultum, Gemechu Bekele Tolossa, Doheon Lee

published 27 Jul 2022

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DOCKGROUND membrane protein-protein set

Ian Kotthoff, Petras J. Kundrotas, Ilya A. Vakser

published 17 May 2022

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Identification of potential interleukin-8 inhibitors acting on the interactive site between chemokine and CXCR2 receptor: A computational approach

Thi-Thuy-Nga Tran, Que-Huong Tran, Quoc-Thai Nguyen, Minh-Tri Le, Dieu-Thuong Thi Trinh, Khac-Minh Thai

published 24 Feb 2022

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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

published 14 Dec 2021

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Principal component analysis of alpha-helix deformations in transmembrane proteins

Alexander Bevacqua, Sachit Bakshi, Yu Xia

published 15 Sep 2021

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PDBrenum: A webserver and program providing Protein Data Bank files renumbered according to their UniProt sequences

Bulat Faezov, Roland L. Dunbrack Jr.

published 06 Jul 2021

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