Journal of Molecular Graphics and Modelling

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B 24 N 24 fullerene as a carrier for 5-fluorouracil anti-cancer drug delivery: DFT studies
Journal of Molecular Graphics and Modelling - Tập 77 - Trang 17-24 - 2017
Mehrnoosh Khodam Hazrati, Zahra Javanshir, Zargham Bagheri
The second-order NLO property of a photoswitchable heteroditpioc ion-pair receptor based on 2-pyridyl acylhydrazone linking with 2,6-pyridine bisamide: The impacts of metal cations and anions
Journal of Molecular Graphics and Modelling - Tập 100 - Trang 107652 - 2020
Yao Yao, Yuan Zhang, Xiang Li, Yong-Qing Qiu
Multi-conformation 3D QSAR study of benzenesulfonyl-pyrazol-ester compounds and their analogs as cathepsin B inhibitors
Journal of Molecular Graphics and Modelling - Tập 30 - Trang 135-147 - 2011
Zhigang Zhou, Yanli Wang, Stephen H. Bryant
Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein–protein inhibitors of p53-MDM2
Journal of Molecular Graphics and Modelling - Tập 51 - Trang 64-72 - 2014
Sukriti Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Chetna Tyagi, Manisha Goyal, Abhinav Grover
Hybrid-genetic algorithm based descriptor optimization and QSAR models for predicting the biological activity of Tipranavir analogs for HIV protease inhibition
Journal of Molecular Graphics and Modelling - Tập 28 - Trang 852-862 - 2010
A. Srinivas Reddy, Sunil Kumar, Rajni Garg
Understanding domain movements and interactions of Pseudomonas aeruginosa lipase with lipid molecule tristearoyl glycerol: A molecular dynamics approach
Journal of Molecular Graphics and Modelling - Tập 85 - Trang 190-197 - 2018
Kothai Thiruvengadam, Sarath Kumar Baskaran, Gautam Pennathur
A nonparametric weighted feature extraction-based method for c-Jun N-terminal kinase-3 inhibitor prediction
Journal of Molecular Graphics and Modelling - Tập 90 - Trang 235-242 - 2019
Gonzalo Cerruela García, Nicolás García-Pedrajas
Molecular dynamics-based analysis of the factors influencing the CO2 replacement of methane hydrate
Journal of Molecular Graphics and Modelling - Tập 119 - Trang 108394 - 2023
Weirong Li, Haobin Xu, Xinle Ma, Zhenzhen Dong, Gang Lei, Shihao Qian, Xin Wei, Xu Pan
Exploring the binding sites of Staphylococcus aureus phenylalanine tRNA synthetase: A homology model approach
Journal of Molecular Graphics and Modelling - Tập 73 - Trang 36-47 - 2017
Samar S. Elbaramawi, Samy M. Ibrahim, El-Sayed M. Lashine, Mohamed E. El-Sadek, Efi Mantzourani, Claire Simons
PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions
Journal of Molecular Graphics and Modelling - Tập 79 - Trang 194-212 - 2018
Sivakumar Prasanth Kumar
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