日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Estimation of vibrational spectra of Trp-cage protein from nonequilibrium metadynamics simulations

利用非平衡元动力学模拟估算Trp-cage蛋白的振动光谱

Fischer, Sean A; Roeters, Steven J; Meuzelaar, Heleen; Woutersen, Sander; Weidner, Tobias; Pfaendtner, Jim

Peptoid-Directed Formation of Five-Fold Twinned Au Nanostars through Particle Attachment and Facet Stabilization

通过颗粒附着和晶面稳定化,肽类化合物引导形成五重孪晶金纳米星

Jin, Biao; Yan, Feng; Qi, Xin; Cai, Bin; Tao, Jinhui; Fu, Xiaofeng; Tan, Susheng; Zhang, Peijun; Pfaendtner, Jim; Naser, Nada Y; Baneyx, François; Zhang, Xin; DeYoreo, James J; Chen, Chun-Long

Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water

冰核蛋白在低温下被激活,从而控制界面水的结构。

Roeters, Steven J; Golbek, Thaddeus W; Bregnhøj, Mikkel; Drace, Taner; Alamdari, Sarah; Roseboom, Winfried; Kramer, Gertjan; Šantl-Temkiv, Tina; Finster, Kai; Pfaendtner, Jim; Woutersen, Sander; Boesen, Thomas; Weidner, Tobias

Ion-dependent protein-surface interactions from intrinsic solvent response

离子依赖性蛋白质-表面相互作用源于固有溶剂响应

Prelesnik, Jesse L; Alberstein, Robert G; Zhang, Shuai; Pyles, Harley; Baker, David; Pfaendtner, Jim; De Yoreo, James J; Tezcan, F Akif; Remsing, Richard C; Mundy, Christopher J

Attention-based generative models for de novo molecular design

基于注意力机制的从头分子设计生成模型

Dollar, Orion; Joshi, Nisarg; Beck, David A C; Pfaendtner, Jim

Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations

通过溶液核磁共振和分子动力学模拟研究氨基酸与 TiO2 纳米粒子表面的动态结合

Mengjun Xue, Janani Sampath, Rachel N Gebhart, Havard J Haugen, S Petter Lyngstadaas, Jim Pfaendtner, Gary Drobny

Trimethylation of the R5 Silica-Precipitating Peptide Increases Silica Particle Size by Redirecting Orthosilicate Binding

R5 硅沉淀肽的三甲基化通过改变原硅酸盐结合方式增加硅颗粒尺寸

Buckle, Erika L; Sampath, Janani; Michael, Nina; Whedon, Samuel D; Leonen, Calvin J A; Pfaendtner, Jim; Drobny, Gary P; Chatterjee, Champak

Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces

固态 NMR 和 MD 研究矿物表面上 Statherin 突变体 SNa15 的结构

Erika L Buckle, Arushi Prakash, Massimiliano Bonomi, Janani Sampath, Jim Pfaendtner, Gary P Drobny

Trimethylamine N-oxide-derived zwitterionic polymers: A new class of ultralow fouling bioinspired materials

三甲胺N-氧化物衍生的两性离子聚合物:一类新型超低污损仿生材料

Li, Bowen; Jain, Priyesh; Ma, Jinrong; Smith, Josh K; Yuan, Zhefan; Hung, Hsiang-Chieh; He, Yuwei; Lin, Xiaojie; Wu, Kan; Pfaendtner, Jim; Jiang, Shaoyi

Design of Polyphosphate Inhibitors: A Molecular Dynamics Investigation on Polyethylene Glycol-Linked Cationic Binding Groups

多聚磷酸盐抑制剂的设计:聚乙二醇连接阳离子结合基团的分子动力学研究

Mafi, Amirhossein; Abbina, Srinivas; Kalathottukaren, Manu Thomas; Morrissey, James H; Haynes, Charles; Kizhakkedathu, Jayachandran N; Pfaendtner, Jim; Chou, Keng C