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Journal of Molecular Graphics & Modelling|March 17, 2022
Molecular dynamics simulations of adsorption behavior of DDAH, NaOL and mixed DDAH/NaOL surfactants on muscovite (001) surface in aqueous solutionYuli Di, Ao Jiang, Haiyan Huang, et al.Journal of Molecular Graphics & Modelling|March 24, 2022
On the need to introduce environmental characteristics in ab initio protein structure prediction using a coarse-grained UNRES force fieldIrena Roterman, Adam Sieradzan, Katarzyna Stapor, et al.Journal of Molecular Graphics & Modelling|April 2, 2022
Structural insights into the catalytic mechanism of granzyme B upon substrate and inhibitor bindingNeha Tripathi, Richard Danger, Mélanie Chesneau, et al.Journal of Molecular Graphics & Modelling|March 26, 2022
An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE)Rajat Kumar Jha, Rameez Jabeer Khan, Ekampreet Singh, et al.Journal of Molecular Graphics & Modelling|October 16, 1999
Amino acid similarity matrix for homology modeling derived from structural alignment and optimized by the Monte Carlo methodK Ogata, M Ohya, H UmeyamaJournal of Molecular Graphics & Modelling|October 6, 2000
SymROP: ROP protein with identical helices redesigned by all-atom contact analysis and molecular dynamicsD Grell, J S Richardson, D C Richardson, et al.Journal of Molecular Graphics & Modelling|October 6, 2000
Development of computational and graphical tools for analysis of movement and flexibility in large moleculesP A Keller, S P Leach, T T Luu, et al.Journal of Molecular Graphics & Modelling|January 13, 2001
Conformational analysis and docking study of potent factor XIIIa inhibitors having a cyclopropenone ringY Iwata, K Tago, T Kiho, et al.Journal of Molecular Graphics & Modelling|January 13, 2001
Use of toxicological information in drug designE J Matthews, R D Benz, J F ContreraJournal of Molecular Graphics & Modelling|January 6, 2001
Combinatorial library design for diversity, cost efficiency, and drug-like characterR D Brown, M Hassan, M WaldmanPageof 406