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DNA origami nano-mechanics
DNA origami nano-mechanics
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DNA origami nano-mechanics

Ji, Jiahao ; Karna, Deepak ; Mao, Hanbin

Chemical Society reviews, 2021-11, Vol.5 (21), p.11966-11978 [Periódico revisado por pares]

England: Royal Society of Chemistry

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Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution
Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution
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Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution

Liu, Peng ; Zhang, Jingxue ; Wang, Dunyou

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (22), p.14358-14365 [Periódico revisado por pares]

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3
The mechanics of tessellations - bioinspired strategies for fracture resistance
The mechanics of tessellations - bioinspired strategies for fracture resistance
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The mechanics of tessellations - bioinspired strategies for fracture resistance

Fratzl, Peter ; Kolednik, Otmar ; Fischer, F. Dieter ; Dean, Mason N

Chemical Society reviews, 2016-01, Vol.45 (2), p.252-267 [Periódico revisado por pares]

England

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Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution
Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution
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Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution

Chang, Xue-Ping ; Fan, Feng-Ran ; Zhang, Teng-Shuo ; Xie, Bin-Bin

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (38), p.26258-26269 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formation
A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formation
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A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formation

Nkungli, Nyiang Kennet ; Aponglen, Godfred Ayimele ; Tasheh, Stanley Numbonui ; Hassan, Abrar Ul ; Ghogomu, Julius Numbonui

New journal of chemistry, 2024-03, Vol.48 (13), p.5636-5648 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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6
Mechanics of 2D material bubbles
Mechanics of 2D material bubbles
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Mechanics of 2D material bubbles

Cui, Xuwei ; Liu, Luqi ; Dong, Wenlong ; Zhou, Yekai ; Zhang, Zhong

Nano research, 2023-12, Vol.16 (12), p.13434-13449 [Periódico revisado por pares]

Beijing: Tsinghua University Press

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7
An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima
An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima
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An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima

Nikolaev, Dmitrii M ; Shtyrov, Andrey A ; Mereshchenko, Andrey S ; Panov, Maxim S ; Tveryanovich, Yuri S ; Ryazantsev, Mikhail N

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18114-18123 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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8
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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9
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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10
Quantum mechanics/molecular mechanics studies on excited state decay pathways of 5-azacytosine in aqueous solution
Quantum mechanics/molecular mechanics studies on excited state decay pathways of 5-azacytosine in aqueous solution
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Quantum mechanics/molecular mechanics studies on excited state decay pathways of 5-azacytosine in aqueous solution

Chang, Xue-Ping ; Zheng, Lingyun ; Yu, Li ; Zhang, Teng-Shuo ; Xie, Bin-Bin

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (45), p.27793-2783 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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