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Molecular Simulation Volume 40, 2014 - Issue 6
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Articles

Investigation into mechanism of orotidine 5′-monophosphate decarboxylase enzyme by MM-PBSA/MM-GBSA and molecular docking

Shirin JamshidiDepartment of Medical Physics and Biomedical Engineering, Faculty of Medicine, Shahid Beheshti University of Medical Sciences, Evin, Tehran, Iran
,
Hashem Rafii-TabarDepartment of Medical Physics and Biomedical Engineering, Faculty of Medicine, Shahid Beheshti University of Medical Sciences, Evin, Tehran, Iran;School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran, Iran;Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran, IranCorrespondence[email protected] [email protected]
&
Seifollah JaliliSchool of Nano-Science, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran, Iran;Theoretical Physical Chemistry Group, Department of Chemistry, K.N. Toosi University of Technology, Tehran, Iran
Pages 469-476 | Received 14 Mar 2013, Accepted 21 Jun 2013, Published online: 23 Jul 2013

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Anu Manhas, Saikat Dubey & Prakash C. Jha. (2020) A profound computational study to prioritize the natural compound inhibitors against the P. falciparum orotidine-5-monophosphate decarboxylase enzyme. Journal of Biomolecular Structure and Dynamics 38:9, pages 2704-2716.
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Keke Dong, Xueyu Yang, Tengteng Zhao & Xiaolei Zhu. (2017) An insight into the inhibitory selectivity of 4-(Pyrazol- 4-yl)-pyrimidines to CDK4 over CDK2. Molecular Simulation 43:8, pages 599-609.
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Articles from other publishers (3)

Guang-Qiang Yu, Dong-Zhen Li, Yu-Lin Lu, Ya-Qi Wang, De-Xin Kong & Man-Qun Wang. (2018) Deciphering the Odorant Binding, Activation, and Discrimination Mechanism of Dhelobp21 from Dastarus Helophoroides. Scientific Reports 8:1.
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Changhao Wang, D'Artagnan Greene, Li Xiao, Ruxi Qi & Ray Luo. (2018) Recent Developments and Applications of the MMPBSA Method. Frontiers in Molecular Biosciences 4.
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Shirin JamshidiJ. Mark SuttonKhondaker Miraz Rahman. (2017) Computational Study Reveals the Molecular Mechanism of the Interaction between the Efflux Inhibitor PAβN and the AdeB Transporter from Acinetobacter baumannii . ACS Omega 2:6, pages 3002-3016.
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