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Thermodynamics

Structure-based discovery of a novel Granzyme A (GZMA) inhibitor for autism spectrum disorder through integrative transcriptomics, virtual screening, and long-timescale molecular dynamics simulations

Metab Alharbi, Abdulrahman Alshammari, [ ... ], Talal Alshammari

An immunoinformatics-driven multiepitope subunit vaccine targeting Oropouche virus: Molecular docking, immune and dynamics simulation approaches

Jwel Sharma, Ahmad Abdullah Mahdeen

A dual-functional antiviral and anticancer peptide to target intricate host-pathogen interacting proteins of human papillomavirus associated with head and neck cancer

Gayathri Ashok, Soumyadip Ghosh, [ ... ], Anand Anbarasu

3D CNN-CVAE and LSTM-guided de novo design of rotigotine derivatives targeting dopamine D1 and D3 receptors in restless legs syndrome

Sinan Eliaçık, Nouman Ali

Identification of flavonoids from natural products against hyperlipidaemia through computational approaches

Nurnazira Hanis Mustaffar Kamal, Nurul Azira Ismail, Ernie Zuraida Ali

Older adults’ evaluations of smart home control screen designs: Appearance dimensions and behavioral intentions in a multi-stage study

Liangming Jia, Qisen Zhang, [ ... ], Shasha Li

Social dynamics signals in archaeological time-series: How cultural transmission and production biases shape assemblage diversity

Aleksandr Diachenko, Detlef Gronenborn

Fire risk assessment for high-rise buildings based on Integrated Disaster Risk Theory

Yingda Huang, Zonglai Liu, Xiaogeng Wei, Zhi-Jin Wu

Identification of new fucosyltransferase-8 inhibitors: An integrated biochemical, biophysical, and computational approach

Muhammad Awais, Noor Rahman, [ ... ], Humaira Zafar

EEG emotion recognition via multilevel entropy analysis: The power of entropy of entropy on phase dynamics

Morteza Jafari Malali, Sepideh Zolfaghari, Raheleh Davoodi

Evaluation of the high-quality development of graduate education in mining engineering based on ISM and Bayesian networks

Liyun Wu, Zhipeng Sun, Yuzhong Yang

FABP5 regulates an immunosuppressive microenvironment in hepatocellular carcinoma through the NF-κB/PD-L1 axis

Rui An, Shibing Hou, [ ... ], Danping Huang

Co-evolution of RcsD and RcsF shapes signal transduction in the enterobacteriaceae Rcs system

Abdelraouf O. Dapour, Moustafa Shehata, Rania Siam, Nahla A. Hussein

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