| 1 |
Structure of Asphaltene Molecules and Nanoclusters Based on Them
Dolomatov MY, Shutkova SA, Bakhtizin RZ, Dolomatova MM, Latypov KF, Gilmanshina KA, Badretdinov BR
Petroleum Chemistry, 60(1), 16, 2020 |
| 2 |
Catalysis mechanism of oxidized polyvinyl alcohol by pseudomonas hydrolase: Insights from molecular dynamics and QM/MM analysis
Chen JF, Wang JJ, Li YW, Wang XD, Zhuang T, Zhang QZ, Wang WX
Chemical Physics Letters, 721, 49, 2019 |
| 3 |
A carbon nanotube-iron (III) oxide nanocomposite as a cathode in dye-sensitized solar cells: Computational modeling and electrochemical investigations
Mousavi F, Taherpour AA
Electrochimica Acta, 318, 617, 2019 |
| 4 |
Effects of Moisture on the Mechanical Properties of Microcrystalline Cellulose and the Mobility of the Water Molecules as Studied by the Hybrid Molecular Mechanics-Molecular Dynamics Simulation Method
Sahputra IH, Alexiadis A, Adams MJ
Journal of Polymer Science Part B: Polymer Physics, 57(8), 454, 2019 |
| 5 |
Pectin-curcumin composite: synthesis, molecular modeling and cytotoxicity
Mundlia J, Ahuja M, Kumar P, Pillay V
Polymer Bulletin, 76(6), 3153, 2019 |
| 6 |
Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations
Schneider J, Korshunova K, Musiani F, Alfonso-Prieto M, Giorgetti A, Carloni P
Biochemical and Biophysical Research Communications, 498(2), 366, 2018 |
| 7 |
Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods
Zhu KK, Jiang CS, Hu JC, Liu XG, Yan X, Tao HR, Luo C, Zhang H
Biochemical and Biophysical Research Communications, 495(1), 721, 2018 |
| 8 |
The impurity effect at the cubic iron nanocluster growth
Bondarenko NV, Nedolya AV
Molecular Crystals and Liquid Crystals, 661(1), 45, 2018 |
| 9 |
Calculation of the specific energy change in an iron-based BCC nanocluster
Nedolya AV, Bondarenko NV
Molecular Crystals and Liquid Crystals, 674(1), 59, 2018 |
| 10 |
Simulation of the Supramolecular Structure of Petroleum Disperse Systems
Kadiev KM, Gyul'maliev AM, Kadieva MK, Khadzhieva SN
Petroleum Chemistry, 58(10), 849, 2018 |
