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Journal of Molecular Graphics & Modelling|April 8, 2011
Theoretical design of a specific DNA-Zinc-finger protein interaction with semi-empirical quantum chemical methodsGábor Nagy, Béla Gyurcsik, Eufrozina A Hoffmann, et al.Journal of Molecular Graphics & Modelling|December 6, 2011
Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexesXiao-Juan Li, Shi-Ling Sun, Na-Na Ma, et al.Journal of Molecular Graphics & Modelling|November 15, 2011
Ensemble fits of restrained peptides' conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3Jerzy Ciarkowski, Sylwia Łuczak, Dawid Jagieła, et al.Journal of Molecular Graphics & Modelling|November 18, 2011
Enrichment of virtual hits by progressive shape-matching and dockingJiwon Choi, Ningning He, Nayoung Kim, et al.Journal of Molecular Graphics & Modelling|December 23, 2011
PS--a program for the analysis of helix geometryBrian J SmithJournal of Molecular Graphics & Modelling|September 23, 2008
Molecular basis of agonicity and antagonicity in the androgen receptor studied by molecular dynamics simulationsWilliam H Bisson, Ruben Abagyan, Claudio N CavasottoJournal of Molecular Graphics & Modelling|September 13, 2008
Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2Jun Zou, Huan-Zhang Xie, Sheng-Yong Yang, et al.Journal of Molecular Graphics & Modelling|February 15, 2022
The assessment of physicochemical properties of Cisplatin complexes with purines and vitamins B groupBeata Szefler, Przemysław Czeleń, Stefan Kruszewski, et al.Journal of Molecular Graphics & Modelling|February 18, 2022
Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d]pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT studyLala Adetia Marlina, Winarto Haryadi, Rathawat Daengngern, et al.Journal of Molecular Graphics & Modelling|October 4, 2021
In silico identification of SARS-CoV-2 cell entry inhibitors from selected natural antiviralsYusuf Şimşek, Sahra Setenay Baran, Belma AslımPageof 408