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Journal of Molecular Graphics & Modelling|May 20, 2008
Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFTQi-Shi Du, Da-Peng Li, Peng-Jun Liu, et al.Journal of Molecular Graphics & Modelling|April 15, 2014
VCMM: a visual tool for continuum molecular modelingShiyang Bai, Benzhuo LuJournal of Molecular Graphics & Modelling|April 9, 2008
Molecular mechanics and molecular orbital simulations on specific interactions between peroxisome proliferator-activated receptor PPARalpha and plasticizerTomohiko Nakagawa, Noriyuki Kurita, Shinsaku Kozakai, et al.Journal of Molecular Graphics & Modelling|April 22, 2008
Parallel, stochastic measurement of molecular surface areaDerek Juba, Amitabh VarshneyJournal of Molecular Graphics & Modelling|November 24, 2016
De novo lead optimization of triazine derivatives identifies potent antimalarialsAshutosh Shandilya, Nasimul Hoda, Sameena Khan, et al.Journal of Molecular Graphics & Modelling|September 30, 2016
The effect of protonation of cytosine and adenine on their interactions with carbon nanotubesMarina V Kosevich, Valentina G Zobnina, Stepan G Stepanian, et al.Journal of Molecular Graphics & Modelling|May 23, 2008
A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicalsFilip Fratev, Emilio BenfenatiJournal of Molecular Graphics & Modelling|May 24, 2008
Prediction of bond dissociation enthalpy of antioxidant phenols by support vector machineChanin Nantasenamat, Chartchalerm Isarankura-Na-Ayudhya, Thanakorn Naenna, et al.Journal of Molecular Graphics & Modelling|February 27, 2014
Characterization of CO2 and mixed methane/CO2 hydrates intercalated in smectites by means of atomistic calculationsRubén Martos-Villa, M Pilar Mata, C Ignacio Sainz-DíazJournal of Molecular Graphics & Modelling|October 23, 2018
In vitro and in silico studies of antioxidant activity of 2-thiazolylhydrazone derivativesVinícius Gonçalves Maltarollo, Marina Ferrara de Resende, Thales Kronenberger, et al.Pageof 401