The Bio3D packages for structural bioinformatics von Grant, Barry J., Skjærven, Lars, Yao, Xin‐Qiu

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Tuning Protein Dynamics to Sense Rapid Endoplasmic‐Reticulum Calcium Dynamics von Deng, Xiaonan, Yao, Xin‐Qiu, Berglund, Ken, Dong, Bin, Ouedraogo, Daniel, Ghane, Mohammad A., Zhuo, You, McBean, Cheyenne, Wei, Zheng Zachory, Gozem, Samer, Yu, Shan P., Wei, Ling, Fang, Ning, Mabb, Angela M., Gadda, Giovanni, Hamelberg, Donald, Yang, Jenny J.

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Dissecting the Allosteric Fine-Tuning of Enzyme Catalysis von Yao, Xin-Qiu, Hamelberg, Donald

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Comparative structural dynamic analysis of GTPases von Li, Hongyang, Yao, Xin-Qiu, Grant, Barry J

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Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells von Stender, Joshua D., Nwachukwu, Jerome C., Kastrati, Irida, Kim, Yohan, Strid, Tobias, Yakir, Maayan, Srinivasan, Sathish, Nowak, Jason, Izard, Tina, Rangarajan, Erumbi S., Carlson, Kathryn E., Katzenellenbogen, John A., Yao, Xin-Qiu, Grant, Barry J., Leong, Hon S., Lin, Chin-Yo, Frasor, Jonna, Nettles, Kendall W., Glass, Christopher K.

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CafeMol: A Coarse-Grained Biomolecular Simulator for Simulating Proteins at Work von Kenzaki, Hiroo, Koga, Nobuyasu, Hori, Naoto, Kanada, Ryo, Li, Wenfei, Okazaki, Kei-ichi, Yao, Xin-Qiu, Takada, Shoji

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Drug Uptake Pathways of Multidrug Transporter AcrB Studied by Molecular Simulations and Site-Directed Mutagenesis Experiments von Yao, Xin-Qiu, Kimura, Nobuhiro, Murakami, Satoshi, Takada, Shoji

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Drug export and allosteric coupling in a multidrug transporter revealed by molecular simulations von Yao, Xin-Qiu, Kenzaki, Hiroo, Murakami, Satoshi, Takada, Shoji

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Piperlongumine induces apoptotic and autophagic death of the primary myeloid leukemia cells from patients via activation of ROS-p38/JNK pathways von Xiong, Xin-xin, Liu, Ju-mei, Qiu, Xin-yao, Pan, Feng, Yu, Shang-bin, Chen, Xiao-qian

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Conserved Conformational Dynamics Reveal a Key Dynamic Residue in the Gatekeeper Loop of Human Cyclophilins von Ahmed, Furyal, Yao, Xin-Qiu, Hamelberg, Donald

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Detecting Functional Dynamics in Proteins with Comparative Perturbed-Ensembles Analysis von Yao, Xin-Qiu, Hamelberg, Donald

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Elucidating Allosteric Communications in Proteins with Difference Contact Network Analysis von Yao, Xin-Qiu, Momin, Mohamed, Hamelberg, Donald

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Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein–Coupled Receptor Kinase 2 Inhibitors von Bouley, Renee, Waldschmidt, Helen V., Cato, M. Claire, Cannavo, Alessandro, Song, Jianliang, Cheung, Joseph Y., Yao, Xin-Qiu, Koch, Walter J., Larsen, Scott D., Tesmer, John J.G.

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Evolving Mutational Buildup in HIV‑1 Protease Shifts Conformational Dynamics to Gain Drug Resistance von Souffrant, Michael, Yao, Xin-Qiu, Hamelberg, Donald

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Integrating protein structural dynamics and evolutionary analysis with Bio3D von Skjærven, Lars, Yao, Xin-Qiu, Scarabelli, Guido, Grant, Barry J

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p53 Is Potentially Regulated by Cyclophilin D in the Triple-Proline Loop of the DNA Binding Domain von Kumutima, Jacques, Yao, Xin-Qiu, Hamelberg, Donald

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Residue–Residue Contact Changes during Functional Processes Define Allosteric Communication Pathways von Yao, Xin-Qiu, Hamelberg, Donald

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Non-active Site Residue in Loop L4 Alters Substrate Capture and Product Release in d‑Arginine Dehydrogenase von Ouedraogo, Daniel, Souffrant, Michael, Yao, Xin-Qiu, Hamelberg, Donald, Gadda, Giovanni

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Deciphering the Multifaceted Immune Landscape of Unresectable Primary Liver Cancer to Predict Immunotherapy Response von Xue, Jun, Yang, Shuai, Zhang, Si‐Si, Fan, Jun, Wu, Zi‐Long, Sui, Cheng‐Jun, Yang, Yong‐Qiang, Zhang, Jin‐Feng, Liu, Pian, Zhang, De‐Jun, Qiu, Xin‐Yao, Zhang, Tao, Chen, Lei, Wu, Gang, Wang, Hong‐Yang, Tang, Jing

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Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1 von Chen, Qiuyan, Plasencia, Manolo, Li, Zhuang, Mukherjee, Somnath, Patra, Dhabaleswar, Chen, Chun-Liang, Klose, Thomas, Yao, Xin-Qiu, Kossiakoff, Anthony A., Chang, Leifu, Andrews, Philip C., Tesmer, John J. G.

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