Search results for: in silico structure selection

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  • Viva Collaboration! A new paper in a PLOS journal – and epic responses to reviewers

    I am excited to say our new paper on Chagas Disease just published in PLOS Neglected Tropical Diseases. This was a relatively painless process compared to previous PLOS experiences. We submitted March 31, had reviews back by May 8th and the paper was finally accepted June 5th after some back and forth. We did have some …

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  • Open Source Bayesian Models (X2)

    For the last 5-6 years I have been kind of obsessed (in a good way) with how perhaps we could try to get computational machine learning models for drug discovery to a point where they could be shared. The reasoning behind this being that we publish papers, but the models described in them never really …

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  • Chemical probes and parallel database worlds – who wants to know? More publishing fun

        This post is long and a highly detailed description of the challenges involved in getting scientific work published on one level, on another it gets to the heart of discoverability of data, data analysis and just the slog of publishing something that you hope is going to interest others in your direct field. …

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  • What if drug discovery was as fast as creating a new App?

    Following on from my last blog calling for the need to collaborate and for drug discovery to be more efficient, I got to thinking what if drug discovery could be as fast as creating a new App? Impossible you rightly say..but stay with me..What inspired me was some of my own first efforts using twitter back in …

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  • Curriculum Vitae

    Curriculum Vitae Sean Ekins M.Sc., Ph.D., D.Sc. ekinssean@yahoo.com (215) 687-1320 ekinssean@yahoo.com 5616 Hilltop Needmore Road, Fuquay Varina, NC 27526 USA Summary   I am a scientific leader with over 20 years of dense experience in drug discovery at big pharma, start-up companies and rare disease foundations. I have considerable informatics, ADME-Tox and drug discovery expertise, …

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