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Journal of Molecular Graphics & Modelling|February 21, 2015
Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethersRadhakrishnan Sarangapani, Sreekantha T Reddy, Arun K SikderJournal of Molecular Graphics & Modelling|June 16, 2014
Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactionsHatice Gökcan, F Aylin Sungur KonuklarJournal of Molecular Graphics & Modelling|January 27, 2015
Dissipative particle dynamics study on self-assembled platycodin structures: the potential biocarriers for drug deliveryXingxing Dai, Haiou Ding, Qianqian Yin, et al.Journal of Molecular Graphics & Modelling|January 28, 2015
Characterization of ICAM-1 biophore to design cytoadherence blocking peptidesA Mehra, Gaurav Jerath, Vibin Ramakrishnan, et al.Journal of Molecular Graphics & Modelling|April 2, 2015
Molecular docking and molecular dynamics simulation studies of Trypanosoma cruzi triosephosphate isomerase inhibitors. Insights into the inhibition mechanism and selectivityLucía Minini, Guzmán Álvarez, Mercedes González, et al.Journal of Molecular Graphics & Modelling|July 2, 2014
Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculationsTuanjai Somboon, Jun Ochiai, Witcha Treesuwan, et al.Journal of Molecular Graphics & Modelling|May 23, 2023
Theoretical insight into the unexpected initial (3 + 2) cycloaddition reaction of mesitonitrile oxide with 1, 4-diazepine derivatives: A computational studyMichael Anim Safo, Isaac Ofori, Evans Adei, et al.Journal of Molecular Graphics & Modelling|May 20, 2023
Comparative molecular dynamics study on the features of binding and non-binding modes of retinoic acid in cellular retinol-binding protein (I)Hyeona Kang, Sun-Gu LeeJournal of Molecular Graphics & Modelling|May 20, 2023
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)Abdullahi Ibrahim Uba, Candice Bui-Linh, Julianne M Thornton, et al.Journal of Molecular Graphics & Modelling|February 1, 1997
Conformational analysis using distance geometry methodsD C Spellmeyer, A K Wong, M J Bower, et al.Pageof 408