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| Architecture of the MKK6-p38α complex defines the basis of MAPK specificity and activation | Science | | | 2023 | 121 | 517 |
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| Structure of the connexin-43 gap junction channel in a putative closed state | eLife | | | 2023 | 136 | 160 |
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| General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor | Journal of chemical information and modeling |  | | 2023 | 109 | 0 |
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| The action of physiological and synthetic steroids on the calcium channel CatSper in human sperm | Frontiers in cell and developmental biology | | | 2023 | 132 | 122 |
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| Subcellular location defines GPCR signal transduction | Science advances | | | 2023 | 349 | 296 |
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| Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex | Journal of the American Chemical Society | | | 2022 | 206 | 2 |
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| Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses | Journal of chemical information and modeling | | | 2022 | 141 | 161 |
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| Design, Synthesis, and Anticancer Activity of a Selenium‐Containing Galectin‐3 and Galectin‐9N Inhibitor | International Journal of Molecular Sciences | | | 2022 | 233 | 167 |
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| Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography | eLife | | | 2022 | 98 | 68 |
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| Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation | ACS macro letters | | | 2021 | 106 | 196 |
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| Liquid-Phase Electron Microscopy in Structural Protein Studies | Microscopy and microanalysis | | | 2021 | 62 | 0 |
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| Structural basis of the effect of activating mutations on the EGF receptor | eLife | | | 2021 | 117 | 213 |
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| Imaging Protein Dynamics in Liquid Water | Microscopy and microanalysis | | | 2021 | 101 | 0 |
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| A different perspective for nonphotochemical quenching in plant antenna complexes | Nature communications | | | 2021 | 88 | 48 |
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| Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8 | Chemical science | | | 2021 | 68 | 116 |
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| Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant | Scientific reports | | | 2021 | 265 | 141 |
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| Beyond Structure. Imaging Protein Dynamics at Physiological Temperatures | Biophysical journal | | | 2021 | 47 | 0 |
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| Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies | Journal of Chemical Theory and Computation | | | 2020 | 299 | 129 |
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| Unravelling the effect of the E545K mutation on PI3Kα kinase | Chemical Science | | | 2020 | 232 | 207 |
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| A combined activation mechanism for the glucagon receptor | Proceedings of the National Academy of Sciences | | | 2020 | 265 | 88 |
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| Investigating Cryptic Binding Sites by Molecular Dynamics Simulations | Accounts of Chemical Research | | | 2020 | 251 | 2 |
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