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Journal of Molecular Modeling|February 15, 2014
Investigation on the mechanism for the binding and drug resistance of wild type and mutations of G86 residue in HIV-1 protease complexed with Darunavir by molecular dynamic simulation and free energy calculationDan Li, Ying Zhang, Run-Ning Zhao, et al.Journal of Molecular Modeling|February 25, 2014
Experimental and theoretical study of the mechanism of hydrolysis of substituted phenyl hexanoates catalysed by globin in the presence of surfactantSelami Ercan, Nevin Arslan, Safak Ozhan Kocakaya, et al.Journal of Molecular Modeling|February 25, 2014
Homology modeling and virtual screening for antagonists of protease from yellow head virusSasimanas Unajak, Orathai Sawatdichaikul, Napat Songtawee, et al.Journal of Molecular Modeling|February 25, 2014
A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between hydrogen-bonding and cation-molecule interactions and thermodynamic property in the 1: 2 (Na⁺: N-(Hydroxymethyl)acetamide) ternary complexGuo-rui Feng, Ting-ye Qi, Wen-jing Shi, et al.Journal of Molecular Modeling|February 20, 2014
Theoretical investigation on the healing mechanism of divacancy defect in CNT growth by C₂H₂ and C₂H₄Bo Xiao, Xue-fang Yu, Yi-hong DingJournal of Molecular Modeling|April 14, 2017
Link between generalized nonidempotency and complexity measuresÁ Nagy, E RomeraJournal of Molecular Modeling|April 12, 2017
Combination of anti-hypertensive drugs: a molecular dynamics simulation studyAbbas Yousefpour, Hamid Modarress, Fatemeh Goharpey, et al.Journal of Molecular Modeling|April 6, 2017
An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsinJames J P StewartJournal of Molecular Modeling|March 3, 2017
Insight into the orientational versatility of steroid substrates-a docking and molecular dynamics study of a steroid receptor and steroid monooxygenaseAnna Panek, Alina Świzdor, Natalia Milecka-Tronina, et al.Journal of Molecular Modeling|May 28, 2008
The theoretical 3D structure of Bacillus thuringiensis Cry5BaLi-Qiu Xia, Xin-Min Zhao, Xue-Zhi Ding, et al.Pageof 698