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Protein structure comparison

GTExome: Modeling commonly expressed missense mutations in the human genome

Jill Hoffman, Henry Tan, Clara Sandoval-Cooper, Kaelyn de Villiers, Scott M. Reed

published 30 May 2024

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The molecular interaction of six single-stranded DNA aptamers to cardiac troponin I revealed by docking and molecular dynamics simulation

Bejo Ropii, Maulidwina Bethasari, Isa Anshori, Allya Paramita Koesoema, Wervyan Shalannanda, Ardianto Satriawan, Casi Setianingsih, Mohammad Rizki Akbar, Reza Aditama, Fahmi Fahmi, Erwin Sutanto, Muhammad Yazid, Muhammad Aziz

published 15 May 2024

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AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Patrick Dennis, Nancy Kelley-Loughnane, Rajiv Berry

published 13 May 2024

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Structural bioinformatics studies of glutamate transporters and their AlphaFold2 predicted water-soluble QTY variants and uncovering the natural mutations of L->Q, I->T, F->Y and Q->L, T->I and Y->F

Alper Karagöl, Taner Karagöl, Eva Smorodina, Shuguang Zhang

published 10 Apr 2024

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Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity

Eric M. Rosenberg Jr., Xiaoying Jian, Olivier Soubias, Rebekah A. Jackson, Erin Gladu, Emily Andersen, Lothar Esser, Alexander J. Sodt, Di Xia, R. Andrew Byrd, Paul A. Randazzo

published 04 Apr 2024

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The impact of genetically controlled splicing on exon inclusion and protein structure

Jonah Einson, Mariia Minaeva, Faiza Rafi, Tuuli Lappalainen

published 13 Mar 2024

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Deciphering the structure of a multi-drug resistant Acinetobacter baumannii short-chain dehydrogenase reductase

Mahdi Abedinzadeh Shahri, Paniz Shirmast, Seyed Mohammad Ghafoori, Jade Kenneth Forwood

published 23 Feb 2024

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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, Dipankor Chatterjee, Md. Omar Faruk, Md. Ismail Hosen

published 02 Jan 2024

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Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain reveals a p80-Katanin-like domain

Derek L. Bolhuis, Ram Dixit, Kevin C. Slep

published 29 Dec 2023

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Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

Rima D. Alharthy, Ghulam Fatima, Numan Yousaf, Muhammad Shaheen Iqbal, Sadia Sattar, Abdullah R. Alanzi, Ijaz Ali, Muhammad Muddassar

published 19 Dec 2023

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Putative purine nucleoside interacting residues in the malaria parasite purine uptake transporter PfENT1 are critical for transporter function

Criselda Dillague, Myles H. Akabas

published 19 Dec 2023

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Characterization of terminal flowering cowpea (Vigna unguiculata (L.) Walp.) mutants obtained by induced mutagenesis digs out the loss-of-function of phosphatidylethanolamine-binding protein

Vijayakumar Eswaramoorthy, Thangaraj Kandasamy, Kalaimagal Thiyagarajan, Vanniarajan Chockalingam, Souframanien Jegadeesan, Senthil Natesan, Karthikeyan Adhimoolam, Jeyakumar Prabhakaran, Ramji Singh, Raveendran Muthurajan

published 14 Dec 2023

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Computational analysis of the functional and structural impact of the most deleterious missense mutations in the human Protein C

Mahvash Farajzadeh-Dehkordi, Ladan Mafakher, Abbas Harifi, Fatemeh Samiee-Rad, Babak Rahmani

published 28 Nov 2023

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