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Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents

Alka Bali
2011 ISRN Pharmaceutics  
The method aligns the molecules based on their molecular fields represented as local extrema of electrostatic, van der Waals, and hydrophobic potentials of the molecule termed "field points."  ...  A series of quinoline-based agents with CNS activity have been analyzed for their three-dimensional similarity with respect to a set of standard atypical antipsychotics.  ...  ziprasidone, and ketanserin based upon field-based alignment methods.  ... 
doi:10.5402/2011/186943 pmid:22389844 pmcid:PMC3263725 fatcat:tvscvkntizhqzbxy552xp5ejfi

Meteorology and Oceanography

1952 Physics today  
EUMETSAT support and encouragement is gratefully acknowledged.  ...  Hell, A. Noel and J.  ...  Gird and A. Mostek, 1996: The National weather Service GOES Assessment Project. Preprint Volume 8th Conf. On Satellite Meteor. And Oceanography, 28 Jan -2 Feb, Atlanta, GA, Amer. Meteor.  ... 
doi:10.1063/1.3067492 fatcat:gpzkh2et5ndj5lcss2jsmgxbiy

Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy

Khaled H. Barakat
2012
Virtual screening (VS) is the initial stage of a drug discovery process. Its job is to screen large compound databases for bioactive molecules.  ...  analysis and accurate scoring methods.  ...  .; Kramer, A.; Rice, J. E.; Swope, W. C., FLASHFLOOD: a 3D field-based similarity search and alignment method for flexible molecules.  ... 
doi:10.7939/r3xs86 fatcat:xjadu2cgrnad3dwx2krsxvkkja

Computational design of novel antipsychotics

Tehan, Benjamin, 1970-
2017
Predetermined alignment 196 ' 971 A very recent publication by Jewell et al. m] uses a modified version of a field-based similarity searching (FBSS) method, originally developed for 3D searching in chemical  ...  Pitman et ol.[93] also used the field-based similarity search method.  ... 
doi:10.4225/03/59d44aca6a80f fatcat:m4g5oiywbjerpcxhh7gznfaygu