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Journal of Molecular Modeling|March 22, 2023
Inhibitory mechanism of n-MTAB AuNPs for α-synuclein aggregationRui Rui Liu, Hong Lin Zhai, Min Zhu, et al.Journal of Molecular Modeling|February 24, 2023
Is everything correct? The formation enthalpy estimation and data revision of nitrate and perchlorate saltsDmitry V Khakimov, Tatyana S PivinaJournal of Molecular Modeling|August 11, 2022
Comparison among several vibronic coupling methodsAmanda D Torres, Carlos E V de Moura, Ricardo R Oliveira, et al.Journal of Molecular Modeling|August 13, 2022
Investigation of the electronic structural and optical properties of CH3NH3HgI3 crystalMing Yao, Gang Xu, Mingtao Zhang, et al.Journal of Molecular Modeling|August 19, 2022
Identification of missense SNP-mediated mutations in the regulatory sites of aldose reductase (ALR2) responsible for treatment failure in diabetic complicationsBhawna Vyas, Shalki Choudhary, Himanshu Verma, et al.Journal of Molecular Modeling|August 22, 2022
Structural and vibrational investigation of Cis-Trans isomers of potent insecticide allethrinVahidreza Darugar, Mohammad Vakili, María E Manzur, et al.Journal of Molecular Modeling|November 7, 2022
Designing neodymium-doped hexamine complexant as novel IR NLO material with extremely large non-linear optical behaviorShanza Hameed, Shehla Gul, Muhammad Ans, et al.Journal of Molecular Modeling|November 7, 2022
5D-QSAR studies of 1H-pyrazole derivatives as EGFR inhibitorsDaogang Qin, Xiaoqi Zeng, Tiansheng Zhao, et al.Journal of Molecular Modeling|August 28, 2021
Computational investigation, comparative approaches, molecular structural, vibrational spectral, non-covalent interaction (NCI), and electron excitations analysis of benzodiazepine derivativesS Sarala, S K Geetha, S Muthu, et al.Journal of Molecular Modeling|November 11, 2022
Exploring the thermal conductivity and mechanical properties of BN-doped graphyneAhmet Emin Senturk, Gökçe AkgünPageof 696