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Journal of Molecular Graphics & Modelling|April 24, 2025
Molecular dynamics study of monomeric chorismate mutase shows large reduction in conformational diversity of loops upon binding of the transition state analogFarindra Kumar Mahto, Iqra Hamid, Swati BhattacharyaJournal of Molecular Graphics & Modelling|April 24, 2025
Mechanistic insights on the antioxidant activity of selected neurotransmittersJ Sharanya, M P Kritik Shai, Deepa JanardananJournal of Molecular Graphics & Modelling|April 25, 2025
DFT insights into assembling [8]MCPP with [14]pyridine nanobelts for amino acid sensingAhmad Khaleel AlOmariJournal of Molecular Graphics & Modelling|April 9, 2025
Vibrational assignments, normal coordinates analysis, force constants, and DFT/MP2 computations of 5-Chloro-2,4,6-trifluoropyrimidineBelal Surour, Ahmed E Hassan, Honsi Anwar, et al.Journal of Molecular Graphics & Modelling|April 8, 2025
Identification and investigation of hits targeting the N-methyl-D-aspartate receptor via drug repurposing: A plausible approach for anti-Alzheimer drug discoveryNisha Bansal, Mohammad Khalid Parvez, M Arockia Babu, et al.Journal of Molecular Graphics & Modelling|April 2, 2025
Tailoring functionalized 2,3-diaza-1,3-butadienes for high-energy and insensitive applicationsHridya Rajan, Prakash Chandran R, Sobha Vijayan Nair, et al.Journal of Molecular Graphics & Modelling|June 10, 2023
The role of in Silico/DFT investigations in analyzing dye molecules for enhanced solar cell efficiency and reduced toxicitySavaş Kaya, Abhinay Thakur, Ashish KumarJournal of Molecular Graphics & Modelling|June 5, 2023
Effects of Y-nodes in DGEBA/TDE-85/MTHPA blends on their thermal and mechanical properties: MD simulation and experimental studyBingyue Yan, Wei Yang, Yuyao Zhong, et al.Journal of Molecular Graphics & Modelling|June 4, 2023
Molecular dynamics simulation of water condensation with nucleus under electromagnetic wave irradiationTuan Zhao, Hongzhi Yao, Xiangfei Ji, et al.Journal of Molecular Graphics & Modelling|June 3, 2023
Impact of non-proteinogenic amino acid norvaline and proteinogenic valine misincorporation on a secondary structure of a model peptideZara Škibola, Ita Gruić Sovulj, Aleksandra MaršavelskiPageof 408