Zobrazeno 1 - 10 of 16 pro vyhledávání: '"Adam W. Van Wynsberghe"'
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Akademický článek
Synthesis, Characterization, and Computational Modeling of N-(1-Ethoxyvinyl)pyridinium Triflates, an Unusual Class of Pyridinium Salts
Autor: Jonathan D. Shapiro, Justin C. Sonberg, Benjamin C. Schafer, Christopher C. Williams, Hannah R. Ferris, Eric W. Reinheimer, Adam W. Van Wynsberghe, Charles E. Kriley, Max M. Majireck
Publikováno v: Molecules, Vol 23, Iss 2, p 413 (2018)
N-Substituted pyridinium salts constitute one of the most valuable reagent classes in organic synthesis, due to their versatility and ease of use. Herein we report a preliminary synthesis and detailed structural analysis of several N-(1-ethoxyvinyl)p
Externí odkaz: https://doaj.org/article/111050e0c7124d2c9e11e1e317675111
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2
Synthesis, Characterization, and Computational Modeling of N-(1-Ethoxyvinyl)pyridinium Triflates, an Unusual Class of Pyridinium Salts
Autor: Justin C. Sonberg, Christopher C. Williams, Benjamin C. Schafer, Hannah R Ferris, Jonathan D. Shapiro, Adam W. Van Wynsberghe, Charles E. Kriley, Eric W. Reinheimer, Max M. Majireck
Publikováno v: Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Molecules; Volume 23; Issue 2; Pages: 413
Molecules, Vol 23, Iss 2, p 413 (2018)
N-Substituted pyridinium salts constitute one of the most valuable reagent classes in organic synthesis, due to their versatility and ease of use. Herein we report a preliminary synthesis and detailed structural analysis of several N-(1-ethoxyvinyl)p
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a05f5eb0905bde6a46bea0e8e628b366
https://pubmed.ncbi.nlm.nih.gov/29443883
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3
Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand‐bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target
Autor: Adam W. Van Wynsberghe, Jacob D. Durrant, J. Andrew McCammon, Sarah L. Williams, Eric Oldfield, César Augusto F. de Oliveira, William Sinko, Rong Cao
Publikováno v: Chemical Biology & Drug Design
Undecaprenyl pyrophosphate synthase is a cis-prenyltransferase enzyme, which is required for cell wall biosynthesis in bacteria. Undecaprenyl pyrophosphate synthase is an attractive target for antimicrobial therapy. We performed long molecular dynami
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d5f619f9a1af04fcee6caa7096347a4
https://doi.org/10.1111/j.1747-0285.2011.01101.x
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4
Interpreting Correlated Motions Using Normal Mode Analysis
Autor: Qiang Cui, Adam W. Van Wynsberghe
Publikováno v: Structure. 14(11):1647-1653
SummaryWith the increased popularity of normal mode analyses in structural biology, it is important to carefully consider how to best utilize the results for gaining biological insights without over interpretation. The discussion in this article argu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bfab8f5415742e3f0d634e75104d1ebb
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5
The Exclusion of Glycine Betaine from Anionic Biopolymer Surface: Why Glycine Betaine Is an Effective Osmoprotectant but Also a Compatible Solute
Autor: Daniel J. Felitsky, Adam W. Van Wynsberghe, Jonathan G. Cannon, Jiang Hong, M. Thomas Record, Anderson Cf, Michael W. Capp
Publikováno v: Biochemistry. 43:14732-14743
Paradoxically, glycine betaine (N,N,N-trimethyl glycine; GB) in vivo is both an effective osmoprotectant (efficient at increasing cytoplasmic osmolality and growth rate) and a compatible solute (without deleterious effects on biopolymer function, inc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f64159fbad7376fd328db9ae751a066
https://doi.org/10.1021/bi049115w
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6
Normal-Mode Analysis Suggests Protein Flexibility Modulation throughout RNA Polymerase's Functional Cycle
Autor: Adam W. Van Wynsberghe, Qiang Cui, Guohui Li
Publikováno v: Biochemistry. 43:13083-13096
To explore the domain-scale flexibility of bacterial RNA polymerase (RNAP) throughout its functional cycle, block normal-mode analyses (BNM) were performed on several important functional states, including the holoenzyme, the core complex, a model of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27817f341ed87c2e95b17e27f5b2e62e
https://doi.org/10.1021/bi049738+
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8
The Development and Implementation of a Biomolecular Docking Exercise for the General Chemistry Laboratory
Autor: Timothy E. Elgren, Clare E. O’Grady, Peter Talpey, Adam W. Van Wynsberghe
Computational chemistry has become a widely used tool in nearly all subdisciplines of chemistry. Therefore, it is essential that students be exposed to these techniques throughout the undergraduate curriculum. In this work, we present a biomacromolec
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1899a92d167e4819596fcffcd22e29e6
https://doi.org/10.1016/b978-0-444-63378-1.00006-9
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9
Role of Secondary Sialic Acid Binding Sites in Influenza N1 Neuraminidase
Autor: Jeffrey C. Sung, J. Andrew McCammon, Rommie E. Amaro, Wilfred W. Li, Adam W. Van Wynsberghe
Publikováno v: Journal of the American Chemical Society
Within influenza viral particles, the intricate balance between host cell binding and sialic acid receptor destruction is carefully maintained by the hemagglutinin (HA) and neuraminidase (NA) glycoproteins, respectively. A major outstanding question
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30134c651b876cbc2363e8391bf0f2b9
https://doi.org/10.1021/ja9073672
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