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Macromolecular structure analysis

Computational investigation unveils pathogenic LIG3 non-synonymous mutations and therapeutic targets in acute myeloid leukemia

Md. Arif Hossen, Umme Mim Sad Jahan, Md. Arju Hossain, Khalid Hossain Asif, Ahona Rahman, Sabbir Ahmed, Md. Moin Uddin, Md Faisal Amin, Muhammad Abdul Barik, Mohammod Johirul Islam, Mohammad Kamruzzaman, Soharth Hasnat, Mohammad Nasir Uddin, Tofazzal Islam, M. Nazmul Hoque

published 10 Jun 2025

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In silico analysis of quorum sensing modulators: Insights into molecular docking and dynamics and potential therapeutic applications

Ali Alisaac

published 09 Jun 2025

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Fixed-axis spacelike ruled surfaces and their evolute offsets

Areej A. Almoneef, Rashad A. Abdel-Baky

published 06 Jun 2025

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KIFC1 inhibition: Exploring the potential of propolis-derived small molecules for targeting cancer progression through in silico analysis

Muhammad Bilal Azmi, Simran Kumari, Sakina Aquil, Urooj Nizami, Arisha Sohail, Syed Danish Haseen Ahmed, Shamim Akhtar Qureshi

published 05 Jun 2025

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The third intracellular loop of Drosophila Lilipod is required for protein function in vivo and can mediate protein-protein interactions in vitro

Merin Vellooparambil Roy, Scott J. Neal, Francesca Pignoni

published 04 Jun 2025

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Polypyrimidine tract binding proteins PTBP1 and PTBP2 associate with distinct proteins and have distinct post-translational modifications in neuronal nuclear extract

Michael E. Sullivan, Jacob A. Edberg, Christopher I. Nunez, Herbert L. Axelrod, Niroshika M. Keppetipola

published 04 Jun 2025

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Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)

Ubair Aziz, Ishrat Jabeen

published 04 Jun 2025

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Benchmarking inverse folding models for antibody CDR sequence design

Yifan Li, Yuxiang Lang, Chenrui Xu, Yi Zhou, Ziwei Pang, Per Jr. Greisen

published 04 Jun 2025

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Discovery of novel targets for important human and plant fungal pathogens via an automated computational pipeline HitList

David E. Condon, Brenda K. Schroeder, Paul A. Rowley, F. Marty Ytreberg

published 03 Jun 2025

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Hydroethanolic extract of Schinus terebinthifolia as a promising source of anti-influenza agents: Phytochemical profiling, cheminformatics, molecular docking and dynamics simulations

Napapuch Nopkuesuk, Anuwatchakij Klamrak, Jaran Nabnueangsap, Jaraspim Narkpuk, Shaikh Shahinur Rahman, Yutthakan Saengkun, Piyapon Janpan, Thananya Soonkum, Poramet Sitthiwong, Nisachon Jangpromma, Sirinan Kulchat, Kiattawee Choowongkomon, Rina Patramanon, Arunrat Chaveerach, Samaporn Teeravechyan, Jureerut Daduang, Sakda Daduang

published 02 Jun 2025

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Conserved domains and structural motifs that differentiate closely related Rex1 and Rex3 DEDDh exoribonucleases are required for their function in yeast

Peter W. Daniels, Sophie Kelly, Iwan J. Tebbs, Phil Mitchell

published 02 Jun 2025

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Measuring alignment of structural proteins in engineered tissue constructs using polarized Raman spectroscopy

Maedeh Lotfi, Hui Zhou, Janny Piñeiro Llanes, Ghatu Subhash, Chelsey S. Simmons, Malisa Sarntinoranont

published 30 May 2025

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Impact of obesity on follicular fluid lipid composition and IVF/ICSI outcomes in Korean women: A lipidomic study

Yoo Ra Ko, Min Kyoung Kim, Ji Won Kim, E. Jung Han, Se Jeong Kim, Jae Kyun Park, So Yeon Ahn, Minseo Lee, Surim Oh, Sohyun Hwang, Donghyeon Kim, Hyunjung Jade Lim, Woo Sik Lee

published 23 May 2025

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