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Journal of Molecular Modeling|May 5, 2020
Correction to: Characterization of the inhibition mechanism of a tissue factor inhibiting single-chain variable fragment: a combined computational approachJan-G Vermeulen, Felicity Burt, Esta van Heerden, et al.Journal of Molecular Modeling|April 25, 2020
Substituent control of photophysical properties for excited-state intramolecular proton transfer (ESIPT) of o-LHBDI derivatives: a TD-DFT investigationMei Ni, Shenyang Su, Hua FangJournal of Molecular Modeling|April 20, 2020
Prediction of explosive properties of newly synthesized amino nitroguanidine-based energetic complexes via density functional theoryRouhallah Roohzadeh, Mohammad MahdaviJournal of Molecular Modeling|April 9, 2020
Modeling through space magnetic shielding over the tetrafluoroborate (BF4-) and tetrachloroborate (BCl4-) anionsP Iyyappa Rajan, S MahalakshmiJournal of Molecular Modeling|April 17, 2020
Assessment of SAPT(DFT) with meta-GGA functionalsMichał Hapka, Marcin Modrzejewski, Grzegorz Chałasiński, et al.Journal of Molecular Modeling|April 17, 2020
In silico design of peptides as potential ligands to resistinL América Chi, M Cristina VargasJournal of Molecular Modeling|April 17, 2020
Thermal stability and electronic properties of boron nitride nanoflakesG E D Viana, A M Silva, F U da C Barros, et al.Journal of Molecular Modeling|October 27, 2019
Hylleraas' variational method with orthogonality restrictionsV N Glushkov, X AssfeldJournal of Molecular Modeling|August 13, 2016
Formation of β-cyclodextrin complexes in an anhydrous environmentHocine Sifaoui, Ali Modarressi, Pierre Magri, et al.Journal of Molecular Modeling|May 20, 2021
Ionic bond in hydrogen transferring of the ferrous and/or ferric human/mouse verdoheme oxygenaseHamideh Tasharofi, Maryam Daghighi Asli, Parisa Rajabali JamaatPageof 693