Knowledge-guided data mining on the standardized architecture of NRPS: Subtypes, novel motifs, and sequence entanglements von He, Ruolin, Zhang, Jinyu, Shao, Yuanzhe, Gu, Shaohua, Song, Chen, Qian, Long, Yin, Wen-Bing, Li, Zhiyuan

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Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1 von Kharche, Shalmali, Joshi, Manali, Chattopadhyay, Amitabha, Sengupta, Durba

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Implicit model to capture electrostatic features of membrane environment von Samanta, Rituparna, Gray, Jeffrey J

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Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints von Del Alamo, Diego, Jagessar, Kevin L, Meiler, Jens, Mchaourab, Hassane S

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Copper binding leads to increased dynamics in the regulatory N-terminal domain of full-length human copper transporter ATP7B von Orädd, Fredrik, Steffen, Jonas Hyld, Gourdon, Pontus, Andersson, Magnus

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Mechanical coupling in the nitrogenase complex von Huang, Qi, Tokmina-Lukaszewska, Monika, Johnson, Lewis E, Kallas, Hayden, Ginovska, Bojana, Peters, John W, Seefeldt, Lance C, Bothner, Brian, Raugei, Simone

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Microtubule instability driven by longitudinal and lateral strain propagation von Igaev, Maxim, Grubmüller, Helmut

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To what extent naringenin binding and membrane depolarization shape mitoBK channel gating—A machine learning approach von Richter-Laskowska, Monika, Trybek, Paulina, Bednarczyk, Piotr, Wawrzkiewicz-Jalowiecka, Agata

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Allostery in the dengue virus NS3 helicase: Insights into the NTPase cycle from molecular simulations von Davidson, Russell B, Hendrix, Josie, Geiss, Brian J, McCullagh, Martin

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Dissecting mutational allosteric effects in alkaline phosphatases associated with different Hypophosphatasia phenotypes: An integrative computational investigation von Xiao, Fei, Zhou, Ziyun, Song, Xingyu, Gan, Mi, Long, Jie, Verkhivker, Gennady, Hu, Guang

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Known allosteric proteins have central roles in genetic disease von Abrusán, György, Ascher, David B, Inouye, Michael

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Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers von Berg, Andrej, Kukharenko, Oleksandra, Scheffner, Martin, Peter, Christine

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Determinants of drug-target interactions at the single cell level von Elgart, Vlad, Lin, Jia-Ren, Loscalzo, Joseph

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Few-shot learning for classification of novel macromolecular structures in cryo-electron tomograms von Li, Ran, Yu, Liangyong, Zhou, Bo, Zeng, Xiangrui, Wang, Zhenyu, Yang, Xiaoyan, Zhang, Jing, Gao, Xin, Jiang, Rui, Xu, Min

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Dynamic Allostery Mediated by a Conserved Tryptophan in the Tec Family Kinases von Chopra, Nikita, Wales, Thomas E, Joseph, Raji E, Boyken, Scott E, Engen, John R, Jernigan, Robert L, Andreotti, Amy H

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Expression of quasi-equivalence and capsid dimorphism in the Hepadnaviridae von Wu, Weimin, Watts, Norman R, Cheng, Naiqian, Huang, Rick, Steven, Alasdair C, Wingfield, Paul T

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Shape-preserving elastic solid models of macromolecules von Song, Guang

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ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages von Chan, Chun, Pang, Xiaoyun, Zhang, Yan, Niu, Tongxin, Yang, Shengjiang, Zhao, Daohui, Li, Jian, Lu, Lanyuan, Hsu, Victor W, Zhou, Jian, Sun, Fei, Fan, Jun

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Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model von Konuklar, F. A. S., Aviyente, V., Haliloğlu, T.

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Folding pathways explored with artificial potential functions von Ulutaş, B, Haliloglu, T, Bozma, I

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