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Journal of Molecular Graphics & Modelling|April 7, 2012
Microsolvation and hydrogen bond interactions in Glycine Dipeptide: molecular dynamics and density functional theory studiesBalasubramaniam Yogeswari, Ramasamy Kanakaraju, Subramaniam Boopathi, et al.Journal of Molecular Graphics & Modelling|April 7, 2012
TDDFT studies on the structures and ECD spectra of chiral bisarylimidos bearing different lengths of o-alkoxy chain-substituted polyoxomolybdatesJian-Ping Wang, Li-Kai Yan, Guo-Chun Yang, et al.Journal of Molecular Graphics & Modelling|December 21, 2011
Molecular modeling of Bt Cry1Ac (DI-DII)-ASAL (Allium sativum lectin)-fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sextaSunita Tajne, Ramadevi Sanam, Rambabu Gundla, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Theoretical design and screening of panchromatic phthalocyanine sensitizers derived from TT1 for dye-sensitized solar cellsLinlin Yang, Lianshun Guo, Qianqian Chen, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
The harmonic analysis of cylindrically symmetric proteins: a comparison of Dronpa and a DNA sliding clampGuang Hu, Servaas Michielssens, Samuel L C Moors, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Energies and physicochemical properties of cation-π interactions in biological structuresQi-Shi Du, Jian-Zong Meng, Si-Ming Liao, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Theoretical study on the electronic structure and optical properties of carbazole-π-dimesitylborane as bipolar fluorophores for nondoped blue OLEDsY Zhang, L L Zhang, R S Wang, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Virtual screening filters for the design of type II p38 MAP kinase inhibitors: a fragment based library generation approachPreethi Badrinarayan, G Narahari SastryJournal of Molecular Graphics & Modelling|April 17, 2012
Monte Carlo simulation of binary surfactant/contaminant/water systemsZahra Khodadadi, S Morteza Mousavi-Khoshdel, Hussein Gharibi, et al.Journal of Molecular Graphics & Modelling|July 19, 2011
Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitorsFangfang Wang, Zhi Ma, Yan Li, et al.Pageof 401