Curutchet Carles相关文献与解析，生知库 | 链接生命科学的每一步

Unraveling Charge-Transfer States and Their Ultrafast Dynamics in Artificial Light-Harvesting Complexes

揭示人工光捕获复合物中的电荷转移态及其超快动力学

Teixeira Alves Duarte, Luís Gustavo; Lamas, Iker; Bäuerle, Dominik; Shareef, Saeed; Cunha, Renato D; Curutchet, Carles; Curti, Mariano; Romero, Elisabet

发表日期：2026

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Characterization of Ligand Binding in Human Serum Albumin from Atomistic Energy Transfer Simulations

利用原子能量转移模拟表征人血清白蛋白中的配体结合

期刊:Small Methods

影响因子:9.1

doi:10.1002/smtd.202501820

Ergün, Özge; Bertran-Mostazo, Andrea; Cubero, Elena; Galdeano, Carles; Curutchet, Carles

Human

发表日期：2025

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On the breakdown of Förster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin

溶剂效应导致Förster能量转移理论失效：原子模拟揭示钙调蛋白中距离依赖性介电屏蔽

期刊:Chemical Science

影响因子:7.4

doi:10.1039/d4sc07679f

Gonzalo, Daniel; Cupellini, Lorenzo; Curutchet, Carles

发表日期：2025

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First-principles simulations of the fluorescence modulation of a COX-2-specific fluorogenic probe upon protein dimerization for cancer discrimination

利用第一性原理模拟蛋白质二聚化后COX-2特异性荧光探针的荧光调制，以用于癌症鉴别

期刊:Protein Science

影响因子:5.2

doi:10.1002/pro.70001

Pérez-Sánchez, Álex; Curutchet, Carles; González-Lafont, Àngels; Lluch, José M

Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials

利用静电嵌入式ML势改进环境和振动效应的描述

期刊:Journal of Physical Chemistry Letters

影响因子:4.6

doi:10.1021/acs.jpclett.4c02949

Zinovjev, Kirill; Curutchet, Carles

发表日期：2025

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Enumerative Discovery of Noncanonical Polypeptide Secondary Structures

非典型多肽二级结构的枚举发现

期刊:Journal of the American Chemical Society

影响因子:15.6

doi:10.1021/jacs.4c04991

Moyer, Adam P; Ramelot, Theresa A; Curti, Mariano; Eastman, Margaret A; Kang, Alex; Bera, Asim K; Tejero, Roberto; Salveson, Patrick J; Curutchet, Carles; Romero, Elisabet; Montelione, Gaetano T; Baker, David

发表日期：2024

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Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling

利用计算模型在人工蛋白质中构建激子耦合二聚体以实现光捕获

期刊:Protein Science

影响因子:5.2

doi:10.1002/pro.4579

Curti, Mariano; Maffeis, Valentin; Teixeira Alves Duarte, Luís Gustavo; Shareef, Saeed; Hallado, Luisa Xiomara; Curutchet, Carles; Romero, Elisabet

发表日期：2023

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Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes.

揭示热波动对隐藻 PC612 和 PC645 光合作用天线复合物激子结构的影响

期刊:Frontiers in Molecular Biosciences

影响因子:4

doi:10.3389/fmolb.2023.1268278

Ozaydin Beste, Curutchet Carles

发表日期：2023

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Prediction of n-octanol/water partition coefficients and acidity constants (pK(a)) in the SAMPL7 blind challenge with the IEFPCM-MST model

利用IEFPCM-MST模型预测SAMPL7盲测挑战中正辛醇/水分配系数和酸度常数(pK(a))

期刊:Journal of Computer-Aided Molecular Design

影响因子:3.1

doi:10.1007/s10822-021-00394-6

Viayna, Antonio; Pinheiro, Silvana; Curutchet, Carles; Luque, F Javier; Zamora, William J

How Dispersion Interactions at the Excited State Can Tune Photochromism of Embedded Chromophores

激发态色散相互作用如何调节嵌入式发色团的光致变色

Unraveling Charge-Transfer States and Their Ultrafast Dynamics in Artificial Light-Harvesting Complexes

揭示人工光捕获复合物中的电荷转移态及其超快动力学

Characterization of Ligand Binding in Human Serum Albumin from Atomistic Energy Transfer Simulations

利用原子能量转移模拟表征人血清白蛋白中的配体结合

On the breakdown of Förster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin

溶剂效应导致Förster能量转移理论失效：原子模拟揭示钙调蛋白中距离依赖性介电屏蔽

First-principles simulations of the fluorescence modulation of a COX-2-specific fluorogenic probe upon protein dimerization for cancer discrimination

利用第一性原理模拟蛋白质二聚化后COX-2特异性荧光探针的荧光调制，以用于癌症鉴别

Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials

利用静电嵌入式ML势改进环境和振动效应的描述

Enumerative Discovery of Noncanonical Polypeptide Secondary Structures

非典型多肽二级结构的枚举发现

Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling

利用计算模型在人工蛋白质中构建激子耦合二聚体以实现光捕获

Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes.

揭示热波动对隐藻 PC612 和 PC645 光合作用天线复合物激子结构的影响

Prediction of n-octanol/water partition coefficients and acidity constants (pK(a)) in the SAMPL7 blind challenge with the IEFPCM-MST model

利用IEFPCM-MST模型预测SAMPL7盲测挑战中正辛醇/水分配系数和酸度常数(pK(a))