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Journal of Molecular Graphics & Modelling|December 11, 2024
Molecular networks via reduced reverse degree approachMuhammad Mudassar Hassan, Xiang-Feng Pan, De-Min Yu, et al.Journal of Molecular Graphics & Modelling|January 6, 2025
Molecular interaction profiling and binding dynamics of Cinnamomum zeylanicum phytochemicals with human pancreatic amylaseVyshnavi Vishwanadham Rao, Koppala Narayanappa ShantiJournal of Molecular Graphics & Modelling|December 20, 2023
An amalgamated molecular dynamic and Gaussian based 3D-QSAR study for the design of 2,4-thiazolidinediones as potential PTP1B inhibitorsAvadh Biharee, Yogesh Singh, Swanand Kulkarni, et al.Journal of Molecular Graphics & Modelling|December 30, 2023
Influence of the solvent on the sensitization of nanostructured electrodes of TiO2 for solar cells sensitized with a natural dye extracted from purple corn: Molecular dynamic simulation and experimental validationArnold Anthony Huamán Aguirre, María Esther Quintana CácedaJournal of Molecular Graphics & Modelling|February 10, 2024
Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionalsH Camacho-Montes, A P Leyva Aizpuru, R Dominguez-Garcia, et al.Journal of Molecular Graphics & Modelling|January 16, 2024
INTransformer: Data augmentation-based contrastive learning by injecting noise into transformer for molecular property predictionJing Jiang, Yachao Li, Ruisheng Zhang, et al.Journal of Molecular Graphics & Modelling|March 29, 2024
Exploring the structural assembly of rice ADP-glucose pyrophosphorylase subunits using MD simulationJitendra Maharana, Seon-Kap Hwang, Dhanawantari L Singha, et al.Journal of Molecular Graphics & Modelling|March 16, 2024
In silico prediction of CD8+ and CD4+ T cell epitopes in Leishmania major proteome: Using immunoinformaticsMohammad Kashif, Mohd Waseem, Naidu SubbaraoJournal of Molecular Graphics & Modelling|March 2, 2024
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubesR Ansari, P Aghdasi, A ShahnazariJournal of Molecular Graphics & Modelling|March 6, 2024
Understanding of the stability of acyclic nitronic acids in the light of molecular electron density theoryAgnieszka Kącka-ZychPageof 400