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Molecular structure

Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP)

Fozia Bashir Farooq, Sobia Sultana, Nouf Abdulrahman Alqahtani, Muhammad Imran

published 17 Jan 2025

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Drug-Drug interactions prediction calculations between cardiovascular drugs and antidepressants for discovering the potential co-medication risks

Tie Hua Zhou, Tian Yu Jin, Xi Wei Wang, Ling Wang

published 13 Jan 2025

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In silico drug repurposing at the cytoplasmic surface of human aquaporin 1

Aled R. Lloyd, Karl Austin-Muttitt, Jonathan G. L. Mullins

published 09 Jan 2025

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Correlation analysis between micro and macro indicators of high modulus modified asphalt for asphalt pavement

Jiarong Wang, Zhengqi Zhang, Zhongnan Tian

published 02 Jan 2025

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Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate

Pia Lavriha, Yufei Han, Xinyue Ding, Dina Schuster, Chao Qi, Anand Vaithia, Paola Picotti, Volodymyr M. Korkhov

published 31 Dec 2024

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Demonstration of physicochemical and functional similarity between Stimufend (pegfilgrastim-fpgk) and Neulasta (pegfilgrastim): A comparative analytical assessment

Alison Sykes, Louise Ingram, Ulrich Kronthaler, Laurent Chevalet

published 24 Oct 2024

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Impact of mutations in starch synthesis genes on morphological, compositional, molecular structure, and functional properties of potato starch

Shishanthi Jayarathna, Zsuzsanna Péter-Szabó, Gustav Nestor, Mariette Andersson, Francisco Vilaplana, Roger Andersson

published 26 Sep 2024

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Exploring carbon catenoids and their applications for encapsulation of carbon nanostructures

Panyada Sripaturad, Ngamta Thamwattana, Kyle Stevens, Duangkamon Baowan

published 26 Sep 2024

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Polyamines (PAs) but not small peptides with closely spaced positively charged groups interact with DNA and RNA, but they do not represent a relevant buffer system at physiological pH values

Julian Rieck, Christian Derst, Rüdiger W. Veh

published 25 Jul 2024

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Quadruplex-duplex junction in LTR-III: A molecular insight into the complexes with BMH-21, namitecan and doxorubicin

Stefania Mazzini, Gigliola Borgonovo, Salvatore Princiotto, Roberto Artali, Loana Musso, Anna Aviñó, Ramon Eritja, Raimundo Gargallo, Sabrina Dallavalle

published 24 Jul 2024

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Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins

Pedro Garrido-Rodríguez, Miguel Carmena-Bargueño, María Eugenia de la Morena-Barrio, Carlos Bravo-Pérez, Belén de la Morena-Barrio, Rosa Cifuentes-Riquelme, María Luisa Lozano, Horacio Pérez-Sánchez, Javier Corral

published 05 Jul 2024

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LSTM-driven drug design using SELFIES for target-focused de novo generation of HIV-1 protease inhibitor candidates for AIDS treatment

M. Taleb Albrijawi, Reda Alhajj

published 21 Jun 2024

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The study of pentagonal chain with respect to schultz index, modified schultz index, schultz polynomial and modified schultz polynomial

Guofeng Yu, Shahid Zaman, Mah Jabeen, Xuewu Zuo

published 18 Jun 2024

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