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Journal of Molecular Graphics & Modelling|July 17, 2020
Computational aided acetaminophen - phthalic acid molecularly imprinted polymer design for analytical determination of known and new developed recreational drugsM Paredes-Ramos, A Sabín-López, J Peña-García, et al.Journal of Molecular Graphics & Modelling|July 24, 2020
Intermolecular interaction among Remdesivir, RNA and RNA-dependent RNA polymerase of SARS-CoV-2 analyzed by fragment molecular orbital calculationKoichiro Kato, Teruki Honma, Kaori FukuzawaJournal of Molecular Graphics & Modelling|August 18, 2020
Insight into the structural and functional analysis of the impact of missense mutation on cytochrome P450 oxidoreductaseRajalakshmi Kumar, Manikandan Jayaraman, Krishna Ramadas, et al.Journal of Molecular Graphics & Modelling|August 19, 2020
The effect of metal alkali cations on the properties of hydrogen bonds in tautomeric forms of adenine - Guanine mismatchMojdeh Rafizadeh Shahi, Sotoodeh BagheriJournal of Molecular Graphics & Modelling|August 2, 2020
The pathways of the CO2 hydrogenation by NiCu/ZnO from DFT molecular dynamics simulationsElżbieta Dziadyk, Janusz Trawczyński, Bartłomiej M SzyjaJournal of Molecular Graphics & Modelling|April 13, 2021
Unveiling structural, electronic properties and chemical bonding of (VH2)n (n=10-30) nanoclusters: DFT investigationNa Lv, Xiangyu Guo, Lihong Zhang, et al.Journal of Molecular Graphics & Modelling|April 13, 2021
Unprecedented saturation limit achieved by inorganic polycationic cluster (Sb7Te8)5+ for light noble gases (He & Ne)Maryam Munir, Muhammad Yar, Faiza Ahsan, et al.Journal of Molecular Graphics & Modelling|April 8, 2021
Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics propertiesParisa Jahanbakhsh Bonab, Mehdi D Esrafili, Alireza Rastkar Ebrahimzadeh, et al.Journal of Molecular Graphics & Modelling|April 16, 2021
Interaction of epoxy-based hydrogels and water: A molecular dynamics simulation studyJuganta K Roy, Henry P Pinto, Jerzy LeszczynskiJournal of Molecular Graphics & Modelling|April 23, 2021
Strong intramolecular hydrogen bonding in confined amino acidsM Shahamirian, S M AzamiPageof 400