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

Harnessing Membrane-Active Peptides for Selective Cancer Targeting: Phosphatidylserine Recognition by Tilapia Piscidin 4

利用膜活性肽进行选择性癌症靶向:罗非鱼Piscidin 4对磷脂酰丝氨酸的识别

Makambi, Wright K; De, Soumita; Li, Dandan; Mondal, Kinjal; Mitchell, Megan E; Kaur, Navleen; Watkins, Erik; Heinrich, Frank; Hoogerheide, David P; Klauda, Jeffery B; Rudloff, Udo; Cotten, Myriam L; Mihailescu, Mihaela

Chlorpromazine inhibits EAG1 channels by altering the interdomain coupling

氯丙嗪通过改变域间偶联来抑制EAG1通道。

Kihn, Kyle; Wang, Ze-Jun; Chen, Xi; Ghorbani, Mahdi; Tiwari, Purushottam B; Klauda, Jeffery B; Brelidze, Tinatin I

Poly-Arginine Tails and Helical Segments of Natural Antimicrobial Peptides Display Concerted Action at Membranes for Enhanced Antimicrobial Effects.

天然抗菌肽的聚精氨酸尾部和螺旋片段在细胞膜上协同作用,增强抗菌效果

Kaur Navleen, Mondal Kinjal, Mitchell Megan E, Padi Sarala, Klauda Jeffery B, Cardone Antonio, Heinrich Frank, Harris Christina R, Giles David K, Rooney Mary T, Watkins Erik B, Cotten Myriam L, Hoogerheide David P, Mihailescu Mihaela

Identification of Plasma Free Fatty Acid Carrier Proteins in Mice.

小鼠血浆游离脂肪酸载体蛋白的鉴定

Tomoo Keigo, Zhang Yi, Mohallem Rodrigo, Aryal Uma K, Klauda Jeffery B, Henderson Gregory C

AI-driven antimicrobial peptide characterization unveils novel motifs for drug design

人工智能驱动的抗菌肽表征揭示了药物设计的新基序

Padi, Sarala; Mondal, Kinjal; Hoogerheide, David P; Heinrich, Frank; Mihailescu, Mihaela; Klauda, Jeffery B; Cardone, Antonio

Thermodynamics of arginine interactions with organic phosphates

精氨酸与有机磷酸酯相互作用的热力学

Min, Jiyeon; Britt, Madolyn; Brooks, Bernard R; Sukharev, Sergei; Klauda, Jeffery B

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

CHARMM 45周年:可访问性、功能性和速度方面的提升

Hwang, Wonmuk; Austin, Steven L; Blondel, Arnaud; Boittier, Eric D; Boresch, Stefan; Buck, Matthias; Buckner, Joshua; Caflisch, Amedeo; Chang, Hao-Ting; Cheng, Xi; Choi, Yeol Kyo; Chu, Jhih-Wei; Crowley, Michael F; Cui, Qiang; Damjanovic, Ana; Deng, Yuqing; Devereux, Mike; Ding, Xinqiang; Feig, Michael F; Gao, Jiali; Glowacki, David R; Gonzales, James E 2nd; Hamaneh, Mehdi Bagerhi; Harder, Edward D; Hayes, Ryan L; Huang, Jing; Huang, Yandong; Hudson, Phillip S; Im, Wonpil; Islam, Shahidul M; Jiang, Wei; Jones, Michael R; Käser, Silvan; Kearns, Fiona L; Kern, Nathan R; Klauda, Jeffery B; Lazaridis, Themis; Lee, Jinhyuk; Lemkul, Justin A; Liu, Xiaorong; Luo, Yun; MacKerell, Alexander D Jr; Major, Dan T; Meuwly, Markus; Nam, Kwangho; Nilsson, Lennart; Ovchinnikov, Victor; Paci, Emanuele; Park, Soohyung; Pastor, Richard W; Pittman, Amanda R; Post, Carol Beth; Prasad, Samarjeet; Pu, Jingzhi; Qi, Yifei; Rathinavelan, Thenmalarchelvi; Roe, Daniel R; Roux, Benoit; Rowley, Christopher N; Shen, Jana; Simmonett, Andrew C; Sodt, Alexander J; Töpfer, Kai; Upadhyay, Meenu; van der Vaart, Arjan; Vazquez-Salazar, Luis Itza; Venable, Richard M; Warrensford, Luke C; Woodcock, H Lee; Wu, Yujin; Brooks, Charles L 3rd; Brooks, Bernard R; Karplus, Martin

Chlorpromazine inhibits EAG1 channels by altering the coupling between the PAS, CNBH and pore domains

氯丙嗪通过改变PAS、CNBH和孔道结构域之间的耦合来抑制EAG1通道。

Ghorbani, Mahdi; Wang, Ze-Jun; Chen, Xi; Tiwari, Purushottam B; Klauda, Jeffery B; Brelidze, Tinatin I

Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids

具有长程色散显式处理的Drude可极化脂质力场:饱和和单不饱和两性离子脂质的参数化和验证

Yu, Yalun; Venable, Richard M; Thirman, Jonathan; Chatterjee, Payal; Kumar, Anmol; Pastor, Richard W; Roux, Benoît; MacKerell, Alexander D Jr; Klauda, Jeffery B

GraphVAMPNet, using graph neural networks and variational approach to Markov processes for dynamical modeling of biomolecules

GraphVAMPNet,利用图神经网络和马尔可夫过程的变分方法对生物分子进行动力学建模

Ghorbani, Mahdi; Prasad, Samarjeet; Klauda, Jeffery B; Brooks, Bernard R