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ACS Denver 2015: Scaffold hopping: Balancing novelty, accessibility and physico-chemical properties
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March 2015 newsletter
Posted onA 3D-QSAR study on DPP-4 inhibitors In this case study, Giovanna Tedesco describes how a robust 3D-QSAR (Quantitative Structure Activity ...
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Using Cresset's Spark to grow and link distant fragment hits with sensible chemistry
Posted onAbstract The main advantage of fragment-based drug discovery (FBDD) is that the starting point, despite having weak potency, often has ...
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The three secrets to great 3D-QSAR: Alignment, alignment and alignment
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Mercachem choose Cresset’s Torch and Spark molecule design software to support their growing medicinal chemistry service business
Posted onCambridge, UK – March 24th, 2015 – Cresset, innovative provider of computational chemistry software and services, is pleased to announce ...
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February 2015 newsletter
Posted onIgnite your medicinal chemistry creativity Spark is Cresset’s scaffold hopping and bioisostere replacement application. It searches millions of molecular fragments ...
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Cresset's fields applied to flavor and fragrance molecules
Posted onCresset’s software is underpinned by a proprietary force field which was designed specifically to provide a more accurate description of ...
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Identifying bioisosteres of the benzazepine scaffold
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Re-Pharm uses Cresset’s Forge to identify novel activity for an existing drug
Posted onCambridge, UK – 10th February 2015 – Cresset, innovative provider of computational chemistry software and services, announces that its drug ...
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January 2015 newsletter
Posted onElucidating the bioactive conformation of CCR5 inhibitors This case study shows how FieldTemplater, working from just a few 2D structures ...
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Conformation hunting performance in V10.3
Posted onMost of Cresset’s applications require good conformations for molecules in order to produce excellent results. This could be for pharmacophore ...