文献库，生知库 | 链接生命科学的每一步

Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential

利用神经网络势能校正基于力场的溶剂化自由能的见解与挑战

doi:10.1021/acs.jpcb.4c01417

Karwounopoulos, Johannes; Wu, Zhiyi; Tkaczyk, Sara; Wang, Shuzhe; Baskerville, Adam; Ranasinghe, Kavindri; Langer, Thierry; Wood, Geoffrey P F; Wieder, Marcus; Boresch, Stefan

发表日期：2024

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Both prey and predator features predict the individual predation risk and survival of schooling prey

猎物和捕食者的特征都能预测群游猎物的个体被捕食风险和存活率。

期刊:Elife

影响因子:6.4

doi:10.7554/eLife.76344

Jolles, Jolle Wolter; Sosna, Matthew M G; Mazué, Geoffrey P F; Twomey, Colin R; Bak-Coleman, Joseph; Rubenstein, Daniel I; Couzin, Iain D

发表日期：2022

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Investigating the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets

研究溶剂在布洛芬晶体表面空位形成中的作用

期刊:Crystal Growth & Design

影响因子:3.4

doi:10.1021/acs.cgd.1c01479

Marinova, Veselina; Wood, Geoffrey P F; Marziano, Ivan; Salvalaglio, Matteo

发表日期：2022

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Identifying Conformational Isomers of Organic Molecules in Solution via Unsupervised Clustering

利用无监督聚类方法识别溶液中有机分子的构象异构体

期刊:Journal of Chemical Information and Modeling

影响因子:5.3

doi:10.1021/acs.jcim.0c01387

Marinova, Veselina; Dodd, Laurence; Lee, Song-Jun; Wood, Geoffrey P F; Marziano, Ivan; Salvalaglio, Matteo

发表日期：2021

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Diet and temperature modify the relationship between energy use and ATP production to influence behavior in zebrafish (Danio rerio)

饮食和温度会改变斑马鱼（Danio rerio）的能量利用和ATP产生之间的关系，从而影响其行为。

期刊:Ecology and Evolution

影响因子:2.3

doi:10.1002/ece3.7806

Le Roy, Amélie; Mazué, Geoffrey P F; Metcalfe, Neil B; Seebacher, Frank

发表日期：2021

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Schistocephalus parasite infection alters sticklebacks' movement ability and thereby shapes social interactions

裂头绦虫感染会改变刺鱼的运动能力，从而影响其社会互动。

期刊:Scientific Reports

影响因子:3.9

doi:10.1038/s41598-020-69057-0

Jolles, Jolle W; Mazué, Geoffrey P F; Davidson, Jacob; Behrmann-Godel, Jasminca; Couzin, Iain D

炎症/感染

发表日期：2020

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Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity

利用语言模型多任务处理预测CH硼化选择性

Leaderless consensus decision-making determines cooperative transport direction in weaver ants

织巢蚁的合作运输方向由无领导者的共识决策决定。

Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential

利用神经网络势能校正基于力场的溶剂化自由能的见解与挑战

Both prey and predator features predict the individual predation risk and survival of schooling prey

猎物和捕食者的特征都能预测群游猎物的个体被捕食风险和存活率。

Investigating the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets

研究溶剂在布洛芬晶体表面空位形成中的作用

Identifying Conformational Isomers of Organic Molecules in Solution via Unsupervised Clustering

利用无监督聚类方法识别溶液中有机分子的构象异构体

Diet and temperature modify the relationship between energy use and ATP production to influence behavior in zebrafish (Danio rerio)

饮食和温度会改变斑马鱼（Danio rerio）的能量利用和ATP产生之间的关系，从而影响其行为。

Schistocephalus parasite infection alters sticklebacks' movement ability and thereby shapes social interactions

裂头绦虫感染会改变刺鱼的运动能力，从而影响其社会互动。