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Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations
Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations
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Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations

Murillo-López, Juliana ; Zinovjev, Kirill ; Pereira, Humberto ; Caniuguir, Andres ; Garratt, Richard ; Babul, Jorge ; Recabarren, Rodrigo ; Alzate-Morales, Jans ; Caballero, Julio ; Tuñón, Iñaki ; Cabrera, Ricardo

Chemical science (Cambridge), 2019-03, Vol.10 (10), p.2882-2892 [Periódico revisado por pares]

England: Royal Society of Chemistry

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Molecular control over vitrimer-like mechanics - tuneable dynamic motifs based on the Hammett equation in polyimine materials
Molecular control over vitrimer-like mechanics - tuneable dynamic motifs based on the Hammett equation in polyimine materials
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Molecular control over vitrimer-like mechanics - tuneable dynamic motifs based on the Hammett equation in polyimine materials

Schoustra, Sybren K ; Dijksman, Joshua A ; Zuilhof, Han ; Smulders, Maarten M. J

Chemical science (Cambridge), 2020-11, Vol.12 (1), p.293-32 [Periódico revisado por pares]

England: Royal Society of Chemistry

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Using molecular dynamics simulations to evaluate active designs of cephradine hydrolase by molecular mechanics/Poisson-Boltzmann surface area and molecular mechanics/generalized Born surface area methods
Using molecular dynamics simulations to evaluate active designs of cephradine hydrolase by molecular mechanics/Poisson-Boltzmann surface area and molecular mechanics/generalized Born surface area methods
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Using molecular dynamics simulations to evaluate active designs of cephradine hydrolase by molecular mechanics/Poisson-Boltzmann surface area and molecular mechanics/generalized Born surface area methods

Xue, Jing ; Huang, Xiaoqiang ; Zhu, Yushan

RSC advances, 2019-01, Vol.9 (24), p.13868-13877 [Periódico revisado por pares]

England: Royal Society of Chemistry

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4
Graphene Mechanics
Graphene Mechanics
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Graphene Mechanics

Peng, Qing

Crystals (Basel), 2019-12, Vol.9 (12), p.636 [Periódico revisado por pares]

Basel: MDPI AG

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Predictive Modeling of Machining Temperatures with Force⁻Temperature Correlation Using Cutting Mechanics and Constitutive Relation
Predictive Modeling of Machining Temperatures with Force⁻Temperature Correlation Using Cutting Mechanics and Constitutive Relation
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Predictive Modeling of Machining Temperatures with Force⁻Temperature Correlation Using Cutting Mechanics and Constitutive Relation

Ning, Jinqiang ; Liang, Steven Y

Materials, 2019-01, Vol.12 (2), p.284 [Periódico revisado por pares]

Switzerland: MDPI AG

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Mechanics of dynamic and deformable DNA nanostructures
Mechanics of dynamic and deformable DNA nanostructures
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Mechanics of dynamic and deformable DNA nanostructures

Li, Ruixin ; Madhvacharyula, Anirudh S ; Du, Yancheng ; Adepu, Harshith K ; Choi, Jong Hyun

Chemical science (Cambridge), 2023-08, Vol.14 (3), p.818-846 [Periódico revisado por pares]

England: Royal Society of Chemistry

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7
Supramolecular mechanics in a metal–organic framework
Supramolecular mechanics in a metal–organic framework
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Supramolecular mechanics in a metal–organic framework

Ogborn, Joseph M. ; Collings, Ines E. ; Moggach, Stephen A. ; Thompson, Amber L. ; Goodwin, Andrew L.

Chemical science (Cambridge), 2012-01, Vol.3 (10), p.3011-3017 [Periódico revisado por pares]

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8
End-to-end differentiable construction of molecular mechanics force fields
End-to-end differentiable construction of molecular mechanics force fields
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End-to-end differentiable construction of molecular mechanics force fields

Wang, Yuanqing ; Fass, Josh ; Kaminow, Benjamin ; Herr, John E ; Rufa, Dominic ; Zhang, Ivy ; Pulido, Iván ; Henry, Mike ; Bruce Macdonald, Hannah E ; Takaba, Kenichiro ; Chodera, John D

Chemical science (Cambridge), 2022-10, Vol.13 (41), p.1216-1233 [Periódico revisado por pares]

England: Royal Society of Chemistry

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9
Cryogel‐Based Electronic–Tissue Interfaces with Soft, Highly Compressible, and Tunable Mechanics
Cryogel‐Based Electronic–Tissue Interfaces with Soft, Highly Compressible, and Tunable Mechanics
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Cryogel‐Based Electronic–Tissue Interfaces with Soft, Highly Compressible, and Tunable Mechanics

Ghatee, Rosa ; Tolouei, Anita ; Fijalkowski, Jennifer ; Alsasa, Abdulrahman ; Hayes, Justin ; Besio, Walter ; Kennedy, Stephen

Macromolecular materials and engineering, 2019-12, Vol.304 (12), p.n/a [Periódico revisado por pares]

Weinheim: John Wiley & Sons, Inc

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10
Special Issue: “Computational Mechanics of Structures and Materials”
Special Issue: “Computational Mechanics of Structures and Materials”
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Special Issue: “Computational Mechanics of Structures and Materials”

Bacciocchi, Michele ; Tarantino, Angelo Marcello ; Luciano, Raimondo ; Majorana, Carmelo

Materials, 2023-08, Vol.16 (16), p.5617 [Periódico revisado por pares]

Basel: MDPI AG

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