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Journal of Molecular Modeling|March 25, 2021
Phytochemicals from Ayurvedic plants as potential medicaments for ovarian cancer: an in silico analysisSahar Qazi, Khalid RazaJournal of Molecular Modeling|August 26, 2022
High electron mobility due to extra π-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based predictionMalik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Talha Hassan, et al.Journal of Molecular Modeling|September 23, 2022
Computational insights into the differentiated binding affinities of Myc, Max, and Omomyc dimers to the E-boxes of DNAYuxin Dai, Jinyuan Zhang, Yinchuan Wang, et al.Journal of Molecular Modeling|May 20, 2011
PSP_MCSVM: brainstorming consensus prediction of protein secondary structures using two-stage multiclass support vector machinesPiyali Chatterjee, Subhadip Basu, Mahantapas Kundu, et al.Journal of Molecular Modeling|May 20, 2011
Noncovalent and covalent functionalization of a (5, 0) single-walled carbon nanotube with alanine and alanine radicalsMuthusivarajan Rajarajeswari, Kombiah Iyakutti, Yoshiyuki KawazoeJournal of Molecular Modeling|May 20, 2011
Effect of the methylation of uracil and/or glycine on their mutual interactionHongqi Ai, Dejie Li, Yongping Zhao, et al.Journal of Molecular Modeling|June 8, 2011
Studies of H4R antagonists using 3D-QSAR, molecular docking and molecular dynamicsJing Liu, Yan Li, Hui-Xiao Zhang, et al.Journal of Molecular Modeling|May 7, 2011
Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) filmsArtur Gieldon, Cezary Czaplewski, Krzysztof Smalara, et al.Journal of Molecular Modeling|April 28, 2011
Ab initio and DFT conformational study on N-nitrosodiethylamine, (C2H5)2N-N=OSilmar A do Monte, Railton B de Andrade, Elizete Ventura, et al.Journal of Molecular Modeling|April 28, 2011
Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibriumAgata Martyniak, Pawel Lipkowski, Noel Boens, et al.Pageof 693