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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

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

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

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

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

Jiarong Wang, Zhengqi Zhang, Zhongnan Tian

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

Pia Lavriha, Yufei Han, [ ... ], Volodymyr M. Korkhov

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

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

Shishanthi Jayarathna, Zsuzsanna Péter-Szabó, [ ... ], Roger Andersson

Exploring carbon catenoids and their applications for encapsulation of carbon nanostructures

Panyada Sripaturad, Ngamta Thamwattana, Kyle Stevens, Duangkamon Baowan

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

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

Stefania Mazzini, Gigliola Borgonovo, [ ... ], Sabrina Dallavalle

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

Pedro Garrido-Rodríguez, Miguel Carmena-Bargueño, [ ... ], Javier Corral

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

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

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