Paper Review Records
All Paper Review Records
15 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.
Designing NPC1 inhibitors to halt Ebola virus progression: disrupting the hydrophobic loop-cavity interaction between NPC1-C and GPcl using combined molecular dynamics and experimental inhibitor comparison
AuthorsIshani Paul; Alankar Roy; Mowmita Saha; Raunak Prakash; Sujatra Dey; Sujay Ray
Affiliations1. Amity University; 2. Seth Anandram Jaipuria College
Molecular insights into the role of heteroatoms on the thermal and rheological behaviour of asphalt binders
AuthorsChaitali Anil Tambuskar; Saurav Prasad
Affiliations1. VIT Bhopal University
Clofazimine targets human glioblastoma cells by cytochrome C translocation and PI3K/AKT/mTOR survival axis suppression
AuthorsZonghan Li; Yong Zhang; Chaoran Zhu; Xinlong Xie; Rufei Dai
Affiliations1. Xuzhou Mining Group General Hospital
Tensile failure mechanism of C–S–H/SiO 2 composite exposed to temperatures from 50 to 700K: reactive molecular dynamics and constitutive modelling
AuthorsYuanzhi Liang; Qin Zhang; Zhenji Cao
Affiliations1. Nanjing University of Industry Technology
Molecular simulation of gas adsorption under coupled temperature–pressure conditions in shale reservoirs
AuthorsXinjie Zhu; Kangliang Guo; Peng Chen
Affiliations1. College of Geosciences, Yangtze University
Artificial intelligence and molecular modelling-assisted drug discovery pipeline for natural inhibitors against DNA gyrase B subunit of Pseudomonas aeruginosa
AuthorsLokender Kumar
Affiliations1. Shoolini University
Effect of rough nanoscale slits on methane adsorption behaviour in coal: insights from molecular simulations
AuthorsYukun Tian; Yi Jin; Yunhang Yang; Mengyu Zhao; Junling Zheng; Jiabin Dong
Affiliations1. Henan Polytechnic University; 2. Jiaozuo; 3. Collaborative Innovation Center of Coal Work Safety and Clean High Efficiency Utilization, Jiaozuo; 4. Henan University of Urban Construction, Pingdingshan
Molecular simulation on thermal conductivity and mechanical properties of ternary nanocomposites of polyaniline/polypyrrole/graphyne modified with N atoms
AuthorsXinzhi Li; Xuebo Song; Qinjian Yin; Yihan Wang; Ge Zhou
Affiliations1. Sichuan University
Molecular dynamics simulation study on the thermophysical properties of n -eicosane@IRMOFs composite phase change materials
AuthorsHaoran Ma; Yuchen Zhang; Teng Wu; Xiaoxiao Xia; Weixiong Wu; Wei Li
Affiliations1. Jinan University; 2. Naval University of Engineering
Molecular dynamics characterization of marine alkaloid binding to the SARS-CoV-2 KP.2 receptor-binding domain
AuthorsChuang Ma; Mengmeng Wang; Xueli Zang; Sennan Qiao; Hansi Zhang; Zhenyan Jiang
Affiliations1. Jilin University; 2. Changchun Medical College
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