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Publisher : canadian science publishing

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Academic Journal

A molecular dynamics simulation investigation on the effects of Ser/Cys exchange in the Ser–cisSer–Lys catalytic triad of malonamidase E2

Authors : Anupom Roy; James W. Gauld

Subjects: 0301 basic medicine; 03 medical and health sciences

Source: Canadian Journal of Chemistry. 101:585-594

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Academic Journal

Effect of external growth environment on cocrystal habits of HNIW/DNB: a molecular dynamics simulation

Authors : Song, Liang; Xu, Si-Yu; Zhao, Feng-Qi

Subjects: 01 natural sciences; 0104 chemical sciences

Source: Canadian Journal of Chemistry. 98:746-754

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Academic Journal

Molecular dynamics simulation on the morphology of 1,1-diamino-2,2-dinitroethylene (FOX-7) affected by dimethyl sulfoxide (DMSO) and temperature

Authors : Lan, Guachao; Jin, Shaohua; Li, Jing

Subjects: 01 natural sciences; 0104 chemical sciences

Source: Canadian Journal of Chemistry. 97:538-545

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Academic Journal

Discovery of potential negative allosteric modulators of mGluR5 from natural products using pharmacophore modeling, molecular docking, and molecular dynamics simulation studies

Authors : Yanling Zhang; Yusu He; Gongyu Li

Subjects: 0301 basic medicine; 03 medical and health sciences; 3. Good health

Source: Canadian Journal of Chemistry. 93:1199-1206

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Molecular dynamics simulation of halogen bonding in Cl2, BrCl, and mixed Cl2/Br2 clathrate hydrates

Authors : Tom K. Woo; John A. Ripmeester; Saman Alavi

Subjects: X ray diffraction; Quantum chemical computations; Hydration

Source: Canadian Journal of Chemistry. 93:864-873

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Investigation of changes in the arrangement of water molecules and salt ions surrounding different atoms of the DNA molecule during the melting process: a molecular dynamics simulation study

Authors : C. Izanloo

Subjects: 0301 basic medicine; 03 medical and health sciences

Source: Canadian Journal of Chemistry. 93:348-361

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Academic Journal

A molecular dynamics simulation investigation on the effects of Ser/Cys exchange in the Ser–cisSer–Lys catalytic triad of malonamidase E2.

Authors : Roy, Anupom; Gauld, James W.

Subjects: MOLECULAR dynamics; HYDROGEN bonding interactions; UBIQUITIN-conjugating enzymes

Source: Canadian Journal of Chemistry; Sep2023, Vol. 101 Issue 9, p585-594, 10p

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Academic Journal

Molecular simulations of protein disorder.

Authors : Rauscher S; Molecular Structure and Function, Hospital for Sick Children, 555 University Avenue, Toronto, ON M5G 1X8, Canada.; Pomès R

Subjects: Molecular Dynamics Simulation*; Proteins/Proteins/Proteins/*chemistry; Protein Conformation

Source: Biochemistry and cell biology = Biochimie et biologie cellulaire [Biochem Cell Biol] 2010 Apr; Vol. 88 (2), pp. 269-90.Publisher: Canadian Science Publishing Country of Publication: Canada NLM ID: 8606068 Publication Model: Print Cited Medium:

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Academic Journal

Charge, hydrophobicity, and confined water: putting past simulations into a simple theoretical framework.

Authors : England JL; Department of Physics, Stanford University, Stanford, CA 94305, USA. ; Pande VS

Subjects: Models, Chemical* ; Molecular Dynamics Simulation*; Proteins/Proteins/Proteins/*chemistry

Source: Biochemistry and cell biology = Biochimie et biologie cellulaire [Biochem Cell Biol] 2010 Apr; Vol. 88 (2), pp. 359-69.Publisher: Canadian Science Publishing Country of Publication: Canada NLM ID: 8606068 Publication Model: Print Cited Medium:

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Effect of pH on the structure, function, and stability of human calcium/calmodulin-dependent protein kinase IV: combined spectroscopic and MD simulation studies

Authors : Naz, Huma; Shahbaaz, Mohd.; Bisetty, Krishna

Subjects: 0301 basic medicine; Protein Stability; Circular Dichroism

Source: Biochemistry and Cell Biology. 94:221-228

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