نتائج البحث

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2.

• Authors : Mahmud, Shafi¹ (AUTHOR); Uddin, Mohammad Abu Raihan² (AUTHOR); Paul, Gobindo Kumar³ (AUTHOR)

• Source: Briefings in Bioinformatics. Mar2021, Vol. 22 Issue 2, p1402-1414. 13p.

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Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein.

• Authors : Ahammad, Foysal^1,2,3 (AUTHOR); Alam, Rahat^2,3 (AUTHOR); Mahmud, Rasel⁴ (AUTHOR)

• Source: Briefings in Bioinformatics. Sep2021, Vol. 22 Issue 5, p1-15. 15p.

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De novoreconstruction of DNA origami structures through atomistic molecular dynamics simulation.

• Authors : Maffeo, Christopher^1,2; Jejoong Yoo^1,2; Aksimentiev, Aleksei^1,2,3

• Source: Nucleic Acids Research. 4/20/2016, Vol. 44 Issue 7, p3013-3019. 7p.

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The open state of human topoisomerase I as probed by molecular dynamics simulation.

• Authors : Chillemi, Giovanni; Bruselles, Alessandro; Fiorani, Paola

• Source: Nucleic Acids Research. May2007, Vol. 35 Issue 9, p3032-3038. 7p.

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Construction of Enzyme-Substrate Complexes between Hen Egg-White Lysozyme and N-Acetyl-d-Glucosamine Hexamer by Systematic Conformational Search and Molecular Dynamics Simulation.

• Authors : Hirakawa, Hideki¹; Kawahara, Yoshihiro²; Ochi, Atsuko²

Subjects: *Enzymes; *Lysozymes; *Glucosamine

• Source: Journal of Biochemistry. Aug2006, Vol. 140 Issue 2, p221-227. 7p.

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Molecular dynamics simulation study of the binding of purine bases to the aptamer domain of the guanine sensing riboswitch.

• Authors : Villa, Alessandra¹; Wöhnert, Jens¹; Stock, Gerhard¹

• Source: Nucleic Acids Research. 2009, Vol. 37 Issue 14, p4774-4786. 13p.

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Cytosine ribose flexibility in DNA: a combined NMR 13C spin relaxation and molecular dynamics simulation study.

• Authors : Duchardt, Elke¹; Nilsson, Lennart¹; Schleucher, Jürgen¹

• Source: Nucleic Acids Research. 2008, Vol. 36 Issue 12, p4211-4219. 9p.

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Triplex hydration: nanosecond molecular dynamics simulation of the solvated triplex formed by mixed sequences.

• Authors : Ojha, Rajendra P.; Tiwari, Rakesh K.

• Source: Nucleic Acids Research. Nov2003, Vol. 31 Issue 21, p6373-6380. 8p.

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A molecular dynamics simulation study of oriented DNA with polyamine and sodium counterions: diffusion and averaged binding of water and cations.

• Authors : Korolev, Nikolay; Lyubartsev, Alexander P.; Laaksonen, Aatto

• Source: Nucleic Acids Research. Oct2003, Vol. 31 Issue 20, p5971-5981. 11p.

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Effect of a neutralized phosphate backbone on the minor groove of B‐DNA: molecular dynamics simulation studies.

• Authors : Hamelberg, Donald; Williams, Loren Dean; Wilson, W. David

• Source: Nucleic Acids Research. Aug2002, Vol. 30 Issue 16, p3615-3623. 9p.

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