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Journal of Molecular Graphics & Modelling|October 23, 2012
Implementation of the force decomposition machine for molecular dynamics simulationsUrban Borštnik, Benjamin T Miller, Bernard R Brooks, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
In silico studies toward the recognition of fluoride ion by substituted borazinesManoj K Kesharwani, Bishwajit GangulyJournal of Molecular Graphics & Modelling|October 23, 2012
Partial physicochemical properties and relative stability of polyhydroxylated dibenzofurans: theoretical and experimental studyJia-Qi Shi, Jing Qiu, Li Sun, et al.Journal of Molecular Graphics & Modelling|February 6, 2022
Role of physicochemical characteristics of poly(N,N-diethylacrylamide) on the polymer thermal responsivity and interfacial properties in aqueous solution: All-atom simulation studySajad Rasouli, Seyed Majid Hashemianzadeh, Mohammad Reza MoghbeliJournal of Molecular Graphics & Modelling|June 14, 2014
Theoretical characterization and design of highly efficient iridium (III) complexes bearing guanidinate ancillary ligandXin-Yao Ren, Yong Wu, Li Wang, et al.Journal of Molecular Graphics & Modelling|June 16, 2014
Molecular dynamics study on conformational differences between dGMP and 8-oxo-dGMP: Effects of metal ionsShin-Ichi Fujiwara, Kenichiro Sawada, Takashi AmisakiJournal of Molecular Graphics & Modelling|June 16, 2014
Computational determination of binding structures and free energies of glucose 6-phosphate dehydrogenase with novel steroid inhibitorsZhi-Bo Zhao, Yang Liu, Yuan YaoJournal of Molecular Graphics & Modelling|August 15, 1998
Graphical visualization of mean hydration from molecular dynamics simulationsJ Pitera, P KollmanJournal of Molecular Graphics & Modelling|August 15, 1998
LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteinsM Hendlich, F Rippmann, G BarnickelJournal of Molecular Graphics & Modelling|August 15, 1998
Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitorsM Pastor, C Pérez, F GagoPageof 400