molecular mechanics conformational searches spartan '06 (Wavefunction inc)
90
Structured Review
Wavefunction inc
molecular mechanics conformational searches spartan '06
Molecular Mechanics Conformational Searches Spartan '06, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+mechanics+conformational+searches+spartan+06/molecular+mechanics+conformational+searches+spartan++06/pm17941672-49-39-47
Average 90 stars, based on 1 article reviews
Molecular Mechanics Conformational Searches Spartan '06, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+mechanics+conformational+searches+spartan+06/molecular+mechanics+conformational+searches+spartan++06/pm17941672-49-39-47
Average 90 stars, based on 1 article reviews
molecular mechanics conformational searches spartan '06 - by Bioz Stars,
2026-09
90/100 stars
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Countercurrent Chromatography:Article Title: A new, stereoselective, ring-forming reaction of 1,2-ethanedithiol with N-acylated indoles. Article Snippet: We prepared the 4-fluoroindole analogue 3 (Scheme 1) in 40% yield by standard treatment of the ketone 2 with 1,2ethanedithiol and boron trifluoride etherate.. Compound 3 was a modest melatonin antagonist (pIC50 ) 4.96 nM)4 with some selectivity (11-fold) for the MT2 receptor.5 In an attempt to improve potency and receptor site selectivity we decided to relocate the side chain from C3 to N1 (compound 8a, Scheme 2).. This would require starting from compound 7a where, however, the reactive carbonyl group is of the amide rather than of the ketone type, making the synthesis of the dithiane unusual. |