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Journal of Molecular Graphics & Modelling|January 19, 2007
A new methodology for the simulation of flexible protein-ligand interactionsJames Garner, John Deadman, David Rhodes, et al.Journal of Molecular Graphics & Modelling|July 11, 2006
Theoretical study on the cylinder-shaped N78 cageHongwei Zhou, Ning-Bew Wong, Anmin TianJournal of Molecular Graphics & Modelling|October 19, 2006
Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complexThanyada Rungrotmongkol, Adrian J Mulholland, Supa HannongbuaJournal of Molecular Graphics & Modelling|April 20, 2006
CBS-QB3 calculation of quantum chemical molecular descriptors of isomeric thiadiazolesDaniel Glossman-MitnikJournal of Molecular Graphics & Modelling|November 26, 2022
Molecular basis of ssDNA recognition by RBM45 protein of neurodegenerative disease from multiple molecular dynamics simulations and energy predictionsRuige Wang, Han Sun, Wei Chen, et al.Journal of Molecular Graphics & Modelling|December 23, 2022
Investigation of unified impact of Ti adatom and N doping on hydrogen gas adsorption capabilities of defected graphene sheetsNitin Luhadiya, Vijay Choyal, Shailesh I Kundalwal, et al.Journal of Molecular Graphics & Modelling|December 22, 2022
Network analysis of the autophagy biochemical network in relation to various autophagy-targeted proteins found among SARS-CoV-2 variants of concernMarni E Cueno, Keiichi Taketsuna, Mitsuki Saito, et al.Journal of Molecular Graphics & Modelling|December 22, 2022
Adsorption studies of camphene and eucalyptol molecules on orthorhombic germanane nanosheet - A first-principles investigationV Nagarajan, R Bhuvaneswari, R ChandiramouliJournal of Molecular Graphics & Modelling|December 3, 2022
Adsorption of O2 molecule on the transition metals (TM(II) = Sc2+, Ti2+, V2+, Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+) porphyrins induced carbon nanocone (TM(II)PCNC)Mohamood Khalif, Shahla Daneshmehr, Sattar Arshadi, et al.Journal of Molecular Graphics & Modelling|November 24, 2022
On the possibility of using the Ti@Si16 superatom as a novel drug delivery carrier for different drugs: A DFT studyLi Zhang, Jia-Chen Zhang, Ling-Fei Shi, et al.Pageof 408