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Molecular structure

Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices

Xuewu Zuo, Maryam Akhtar, [ ... ], Salma Kanwal

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

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

MG-DIFF: A novel molecular graph diffusion model for molecular generation and optimization

Xiaochen Zhang, Shuangxi Wang, Ying Fang, Qiankun Zhang

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

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

Temperature dependence of adhesive friction properties of rubber asphalt mortar and its mechanism of action

Yuan Du, Ning Li, [ ... ], Xinyuan Liu

Building an ab initio solvated DNA model using Euclidean neural networks

Alex J. Lee, Joshua A. Rackers, Shivesh Pathak, William P. Bricker

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

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

Base composition is the primary factor responsible for the variation of amino acid usage in zebra finch (Taeniopygia guttata)

Yousheng Rao, Zhangfeng Wang, [ ... ], Xuewen Chai

Prediction of drug-target interactions based on substructure subsequences and cross-public attention mechanism

Haikuo Shi, Jing Hu, [ ... ], Xin Xu

Using advanced vibrational molecular spectroscopy to detect moist heating induced protein structure changes in cool-climate adapted barley grain

Xin Feng, Baoli Sun, Huihua Zhang, Peiqiang Yu

Hydrogen gas sensing performance of a carbon-doped boron nitride nanoribbon at elevated temperatures

Ainun Khairiyah Taib, Zaharah Johari, [ ... ], Afiq Hamzah

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

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

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