Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications von Jing, Zhifeng, Liu, Chengwen, Cheng, Sara Y, Qi, Rui, Walker, Brandon D, Piquemal, Jean-Philip, Ren, Pengyu

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AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids von Zhang, Changsheng, Lu, Chao, Jing, Zhifeng, Wu, Chuanjie, Piquemal, Jean-Philip, Ponder, Jay W, Ren, Pengyu

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Many-body effect determines the selectivity for Ca2+ and Mg2+ in proteins von Jing, Zhifeng, Liu, Chengwen, Qi, Rui, Ren, Pengyu

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Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field von Jing, Zhifeng, Qi, Rui, Liu, Chengwen, Ren, Pengyu

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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields von Lagardère, Louis, Jolly, Luc-Henri, Lipparini, Filippo, Aviat, Félix, Stamm, Benjamin, Jing, Zhifeng F, Harger, Matthew, Torabifard, Hedieh, Cisneros, G Andrés, Schnieders, Michael J, Gresh, Nohad, Maday, Yvon, Ren, Pengyu Y, Ponder, Jay W, Piquemal, Jean-Philip

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Thermodynamics of ion binding and occupancy in potassium channels von Jing, Zhifeng, Rackers, Joshua A, Pratt, Lawrence R, Liu, Chengwen, Rempe, Susan B, Ren, Pengyu

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Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution von Qi, Rui, Jing, Zhifeng, Liu, Chengwen, Piquemal, Jean-Philip, Dalby, Kevin N, Ren, Pengyu

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Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase‑2 (LH2) Inhibition von Maghsoud, Yazdan, Vázquez-Montelongo, Erik Antonio, Yang, Xudong, Liu, Chengwen, Jing, Zhifeng, Lee, Juhoon, Harger, Matthew, Smith, Ally K., Espinoza, Miguel, Guo, Hou-Fu, Kurie, Jonathan M., Dalby, Kevin N., Ren, Pengyu, Cisneros, G. Andrés

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Molecular Dynamics Simulations of Protein RNA Complexes by Using an Advanced Electrostatic Model von Jing, Zhifeng, Ren, Pengyu

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Tungsten Oxide Nanodots Exhibit Mild Interactions with WW and SH3 Modular Protein Domains von Song, Wei, Jing, Zhifeng, Meng, Lijun, Zhou, Ruhong

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Predicting the adsorption of n-perfluorohexane (n-C6F14) on BAM-P109 activated carbon using an ab initio force field von Cao, Fenglei, Jing, Zhifeng, Sun, Huai

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Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition von Jing, Zhifeng, Liu, Chengwen, Ren, Pengyu

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A Comment on the Reweighting Method for Accelerated Molecular Dynamics Simulations von Jing, Zhifeng, Sun, Huai

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Surfactants with Aromatic-Group Tail and Single Quaternary Ammonium Head for Directing Single-Crystalline Mesostructured Zeolite Nanosheets von Xu, Dongdong, Jing, Zhifeng, Cao, Fenglei, Sun, Huai, Che, Shunai

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Molecular Dynamics Study of the Hybridization between RNA and Modified Oligonucleotides von Jing, Zhifeng, Qi, Rui, Thibonnier, Marc, Ren, Pengyu

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π–π interaction of aromatic groups in amphiphilic molecules directing for single-crystalline mesostructured zeolite nanosheets von Xu, Dongdong, Ma, Yanhang, Jing, Zhifeng, Han, Lu, Singh, Bhupendra, Feng, Ji, Shen, Xuefeng, Cao, Fenglei, Oleynikov, Peter, Sun, Huai, Terasaki, Osamu, Che, Shunai

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Robust Antibacterial Activity of Tungsten Oxide (WO3‑x) Nanodots von Duan, Guangxin, Chen, Lu, Jing, Zhifeng, De Luna, Phil, Wen, Ling, Zhang, Leili, Zhao, Lin, Xu, Jiaying, Li, Zhen, Yang, Zaixing, Zhou, Ruhong

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Investigating the Association Mechanism between Rafoxanide and Povidone von Meng, Fan, Jing, Zhifeng, Ferreira, Rui, Ren, Pengyu, Zhang, Feng

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Replica exchange reactive molecular dynamics simulations of initial reactions in zeolite synthesis von Jing, Zhifeng, Xin, Liang, Sun, Huai

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Biocompatible and blood-brain barrier permeable carbon dots for inhibition of Aβ fibrillation and toxicity, and BACE1 activity von Han, Xu, Jing, Zhifeng, Wu, Wei, Zou, Bing, Peng, Zhili, Ren, Pengyu, Wikramanayake, Athula, Lu, Zhongmin, Leblanc, Roger M

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