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Publication : international journal of molecular sciences

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Academic Journal

C∙∙∙O and Si∙∙∙O Tetrel Bonds: Substituent Effects and Transfer of the SiF 3 Group.

Authors : Niu, Zhihao¹ (AUTHOR) ; Wu, Qiaozhuo¹ (AUTHOR) ; Li, Qingzhong¹ (AUTHOR)

Subjects: *COOPERATIVE binding (Biochemistry); *LEWIS bases

Source: International Journal of Molecular Sciences. Aug2023, Vol. 24 Issue 15, p11884. 13p.

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Academic Journal

Transition Networks Unveil Disorder-to-Order Transformations in A β Caused by Glycosaminoglycans or Lipids.

Authors : Schäffler, Moritz^1,2 (AUTHOR) ; Samantray, Suman¹ (AUTHOR) ; Strodel, Birgit^1,2 (AUTHOR)

Subjects: *GLYCOSAMINOGLYCANS; *AMYLOID beta-protein; *ORDER-disorder transitions

Source: International Journal of Molecular Sciences. Jul2023, Vol. 24 Issue 14, p11238. 15p.

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Academic Journal

Molecular Basis for Non-Covalent, Non-Competitive FAAH Inhibition.

Authors : Morgillo, Carmine Marco¹ (AUTHOR); Lupia, Antonio^1,2 (AUTHOR); Deplano, Alessandro³ (AUTHOR)

Subjects: *CANNABINOID receptors; *NEURALGIA; *PAIN management

Source: International Journal of Molecular Sciences. Dec2022, Vol. 23 Issue 24, p15502. 16p.

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Theory-Guided Design of a Method to Obtain Competitive Balance between U(VI) Adsorption and Swaying Zwitterion-Induced Fouling Resistance on Natural Hemp Fibers.

Authors : Gu, Huiquan^1,2 (AUTHOR) ; Yu, Jing^1,2 (AUTHOR) ; Zhang, Hongsen^1,2 (AUTHOR)

Subjects: *NATURAL fibers; *NATURAL immunity; *FOULING

Source: International Journal of Molecular Sciences. Jun2022, Vol. 23 Issue 12, p6517-6517. 12p.

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Academic Journal

Molecular Dynamics Simulations of Acylpeptide Hydrolase Bound to Chlorpyrifosmethyl Oxon and Dichlorvos.

Authors : Hanyong Jin¹ ; Zhenhuan Zhou² ; Dongmei Wang¹

Subjects: *MOLECULAR dynamics; *ACYLPEPTIDE hydrolase; *CHLORPYRIFOS

Source: International Journal of Molecular Sciences. 2015, Vol. 16 Issue 3, p6217-6234. 18p. 1 Color Photograph, 3 Diagrams, 3 Charts, 6 Graphs.

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Academic Journal

Molecular Modeling and MM-PBSA Free Energy Analysis of Endo-1,4-β-Xylanase from Ruminococcus albus 8.

Authors : Dongling Zhan^1,2 ; Lei Yu¹ ; Hanyong Jin¹

Subjects: *XYLANASES; *MOLECULAR microbiology; *RUMINOCOCCUS albus

Source: International Journal of Molecular Sciences. Oct2014, Vol. 15 Issue 10, p17284-17303. 20p. 7 Diagrams, 4 Charts, 3 Graphs.

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Academic Journal

Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds.

Authors : Delgado, Eduardo J.¹ ; Jaña, Gonzalo A.¹

Subjects: *OCTYL alcohol; *MOLECULAR structure; *SOLVATION

Source: International Journal of Molecular Sciences. Mar2009, Vol. 10 Issue 3, p1031-1044. 14p. 4 Charts, 1 Graph.

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Academic Journal

The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans.

Authors : Samantray, Suman^1,2 (AUTHOR) ; Olubiyi, Olujide O.^1,3,4 (AUTHOR) ; Strodel, Birgit^1,5 (AUTHOR)

Subjects: *GLYCOSAMINOGLYCANS; *CHLORIDE ions; *MOLECULAR dynamics

Source: International Journal of Molecular Sciences. Nov2021, Vol. 22 Issue 21, p11529. 1p.

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Academic Journal

Molecular Conditional Generation and Property Analysis of Non-Fullerene Acceptors with Deep Learning.

Authors : Peng, Shi-Ping¹ (AUTHOR) ; Yang, Xin-Yu¹ (AUTHOR); Zhao, Yi¹ (AUTHOR)

Subjects: *FRONTIER orbitals; *CONVOLUTIONAL neural networks; *DEEP learning

Source: International Journal of Molecular Sciences. Aug2021, Vol. 22 Issue 16, p9099-9099. 1p.

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Exploration of Binding Mechanism of a Potential Streptococcus pneumoniae Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation.

Authors : Guan, Shanshan^1,2 (AUTHOR) ; Zhu, Ketong^1,2 (AUTHOR) ; Dong, Yanjiao^1,2 (AUTHOR)

Subjects: *NEURAMINIDASE; *STREPTOCOCCUS pneumoniae; *CHLOROGENIC acid

Source: International Journal of Molecular Sciences. 2/1/2020, Vol. 21 Issue 3, p1003. 1p. 2 Diagrams, 2 Charts, 9 Graphs.

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فلترة النتائج

C∙∙∙O and Si∙∙∙O Tetrel Bonds: Substituent Effects and Transfer of the SiF 3 Group.

Transition Networks Unveil Disorder-to-Order Transformations in A β Caused by Glycosaminoglycans or Lipids.

Molecular Basis for Non-Covalent, Non-Competitive FAAH Inhibition.

Theory-Guided Design of a Method to Obtain Competitive Balance between U(VI) Adsorption and Swaying Zwitterion-Induced Fouling Resistance on Natural Hemp Fibers.

Molecular Dynamics Simulations of Acylpeptide Hydrolase Bound to Chlorpyrifosmethyl Oxon and Dichlorvos.

Molecular Modeling and MM-PBSA Free Energy Analysis of Endo-1,4-β-Xylanase from Ruminococcus albus 8.

Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds.

The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans.

Molecular Conditional Generation and Property Analysis of Non-Fullerene Acceptors with Deep Learning.

Exploration of Binding Mechanism of a Potential Streptococcus pneumoniae Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation.

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