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As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.Articles
Vertical profile of ambient VOCs in background region of Southwest China from Mt. Fanjing observation
Abstract Atmospheric circulation and local meteorology strongly influence the transport and evolution of volatile organic compounds (VOCs) in mountainous environments, yet their vertical distribution and controlling factors in southwest China remain poorly characterized.
In Silico Construction of a Focused Fragment Library Facilitating Exploration of Chemical Space
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Filename Description minf202300256-s1-SI_1.pdf1.4 MB Supplementary minf202300256-s2-SI_2.rar27.5 MB Supplementary
Guided Diffusion for molecular generation with interaction prompt
Abstract Molecular generative models have demonstrated their potential in designing molecules from scratch with high binding affinities in a pre-determined protein pocket and could be combined with traditional structural based drug design strategy. However, the generative processes of such models are random and the atomic interaction information between ligand and protein are ignored. On the other hand, the ligand has high propensity to bind with residues called hotspots.
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