Machine-learning-assisted free energy simulation of solution-phase and enzyme reactions X Pan, J Yang, R Van, E Epifanovsky, J Ho, J Huang, J Pu, Y Mei, K Nam, ... Journal of chemical theory and computation 17 (9), 5745-5758, 2021 | 68 | 2021 |
Turn-on chemiluminescence probes and dual-amplification of signal for detection of amyloid beta species in vivo J Yang, W Yin, R Van, K Yin, P Wang, C Zheng, B Zhu, K Ran, C Zhang, ... Nature Communications 11 (1), 4052, 2020 | 50 | 2020 |
Design, Synthesis, and Evaluation of 18F-Labeled Monoacylglycerol Lipase Inhibitors as Novel Positron Emission Tomography Probes Z Chen, W Mori, H Fu, MA Schafroth, A Hatori, T Shao, G Zhang, RS Van, ... Journal of medicinal chemistry 62 (19), 8866-8872, 2019 | 24 | 2019 |
Assessment of cholesterol homeostasis in the living human brain A Haider, C Zhao, L Wang, Z Xiao, J Rong, X Xia, Z Chen, SK Pfister, ... Science translational medicine 14 (665), eadc9967, 2022 | 17 | 2022 |
Synthesis and preliminary studies of 11C-labeled tetrahydro-1, 7-naphthyridine-2-carboxamides for PET imaging of metabotropic glutamate receptor 2 X Zhang, Y Zhang, Z Chen, T Shao, R Van, K Kumata, X Deng, H Fu, ... Theranostics 10 (24), 11178, 2020 | 13 | 2020 |
Novel reversible-binding PET ligands for imaging monoacylglycerol lipase based on the piperazinyl azetidine scaffold J Rong, W Mori, X Xia, MA Schafroth, C Zhao, RS Van, T Yamasaki, ... Journal of medicinal chemistry 64 (19), 14283-14298, 2021 | 9 | 2021 |
Development of a highly-specific 18F-labeled irreversible positron emission tomography tracer for monoacylglycerol lipase mapping Z Chen, W Mori, J Rong, MA Schafroth, T Shao, RS Van, D Ogasawara, ... Acta Pharmaceutica Sinica B 11 (6), 1686-1695, 2021 | 9 | 2021 |
Epitope alteration by small molecules and applications in drug discovery B Zhu, J Yang, R Van, F Yang, Y Yu, A Yu, K Ran, K Yin, Y Liang, X Shen, ... Chemical Science 13 (27), 8104-8116, 2022 | 8 | 2022 |
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations S Yao, R Van, X Pan, JH Park, Y Mao, J Pu, Y Mei, Y Shao RSC advances 13 (7), 4565-4577, 2023 | 7 | 2023 |
Accelerating Ab Initio Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a … X Pan, R Van, E Epifanovsky, J Liu, J Pu, K Nam, Y Shao The Journal of Physical Chemistry B 126 (23), 4226-4235, 2022 | 6 | 2022 |
Development of a triazolobenzodiazepine-based PET probe for subtype-selective vasopressin 1A receptor imaging A Haider, Z Xiao, X Xia, J Chen, RS Van, S Kuang, C Zhao, J Rong, ... Pharmacological research 173, 105886, 2021 | 5 | 2021 |
Imaging Autotaxin In Vivo with 18F-Labeled Positron Emission Tomography Ligands X Deng, F Salgado-Polo, T Shao, Z Xiao, R Van, J Chen, J Rong, ... Journal of Medicinal Chemistry 64 (20), 15053-15068, 2021 | 5 | 2021 |
Identification and Development of a New Positron Emission Tomography Ligand 4-(2-Fluoro-4-[11C]methoxyphenyl)-5-((1-methyl-1H-pyrazol-3-yl)methoxy)picolinamide for … T Yamasaki, X Zhang, K Kumata, Y Zhang, X Deng, M Fujinaga, Z Chen, ... Journal of medicinal chemistry 63 (20), 11469-11483, 2020 | 5 | 2020 |
Synthesis and preliminary evaluation of 4-hydroxy-6-(3-[11C] methoxyphenethyl) pyridazin-3 (2H)-one, a 11C-labeled D-amino acid oxidase (DAAO) inhibitor for PET imaging X Deng, Y Zhang, Z Chen, K Kumata, R Van, J Rong, T Shao, A Hatori, ... Bioorganic & medicinal chemistry letters 30 (16), 127326, 2020 | 3 | 2020 |
In vivo three-dimensional brain imaging with chemiluminescence probes in Alzheimer’s disease models J Zhang, C Wickizer, W Ding, R Van, L Yang, B Zhu, J Yang, Y Wang, ... Proceedings of the National Academy of Sciences 120 (50), e2310131120, 2023 | 2 | 2023 |
A novel monoacylglycerol lipase-targeted 18F-labeled probe for positron emission tomography imaging of brown adipose tissue in the energy network R Cheng, M Fujinaga, J Yang, J Rong, A Haider, D Ogasawara, RS Van, ... Acta Pharmacologica Sinica 43 (11), 3002-3010, 2022 | 2 | 2022 |
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions X Pan, R Van, J Pu, K Nam, Y Mao, Y Shao Journal of Chemical Theory and Computation 19 (22), 8234-8244, 2023 | 1 | 2023 |
Influence of structural moieties in squaraine dyes on optoacoustic signal shape and intensity WM MacCuaig, C Wickizer, RS Van, ER Buabeng, MR Lerner, WE Grizzle, ... Chem 10 (2), 713-729, 2024 | | 2024 |
Preclinical Evaluation of Novel Positron Emission Tomography (PET) Probes for Imaging Leucine-Rich Repeat Kinase 2 (LRRK2) Z Chen, J Chen, W Mori, Y Yi, J Rong, Y Li, ERC Leon, T Shao, Z Song, ... Journal of Medicinal Chemistry, 2024 | | 2024 |
Subtype-selective vasopressin 1A receptor imaging by positron emission tomography A Haider, S Liang, X Zhiwei, X Xia, S Kuang, R Van, J Chen, C Zhao, ... Nuclear Medicine and Biology 96, S58, 2021 | | 2021 |