J
Junmei Wang
Researcher at University of Pittsburgh
Publications - 189
Citations - 37934
Junmei Wang is an academic researcher from University of Pittsburgh. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 52, co-authored 162 publications receiving 31230 citations. Previous affiliations of Junmei Wang include University of California, San Francisco & University of California, San Diego.
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Recent advances in free energy calculations with a combination of molecular mechanics and continuum models
TL;DR: In this article, a review of the history and basic theory of free energy calculations based on physically effective energy functions is presented, and the prospective and possible strategies to improve the techniques of MM-PBSA and MM-GBSA are discussed.
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High-resolution crystal structure of the human CB1 cannabinoid receptor
Zhenhua Shao,Jie Yin,Karen M. Chapman,Magdalena Grzemska,Lindsay Clark,Junmei Wang,Daniel M. Rosenbaum +6 more
TL;DR: The structure of the human CB1 receptor bound to the inhibitor taranabant is determined and it is found that the extracellular surface of CB1, including the highly conserved membrane-proximal N-terminal region, is distinct from those of other lipid-activated GPCRs, forming a critical part of the ligand-binding pocket.
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Polarization effects in molecular mechanical force fields.
TL;DR: The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations and assessing the modeling methods of one such energy component-polarization energy-and present an overview of polarizable force fields and their current applications.
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The application of in silico drug-likeness predictions in pharmaceutical research
TL;DR: Various approaches for drug-likeness evaluations are summarized, including simple rules/filters based on molecular properties/structures and quantitative prediction models based on sophisticated machine learning methods, and a comprehensive review of recent advances is provided.
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Crystal structure of the human sterol transporter ABCG5/ABCG8
Jyh-Yeuan Lee,Lisa N. Kinch,Lisa N. Kinch,Dominika Borek,Jin Wang,Junmei Wang,Ina L. Urbatsch,Xiao Song Xie,Nikolai V. Grishin,Jonathan C. Cohen,Zbyszek Otwinowski,Helen H. Hobbs,Daniel M. Rosenbaum +12 more
TL;DR: The G5G8 structure provides a mechanistic framework for understanding sterol transport and the disruptive effects of mutations causing sitosterolaemia, and reveals a new transmembrane fold that is present in a large and functionally diverse superfamily of ABC transporters.