Darren V. S. Green - researchr alias

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2022

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 InhibitorsShunzhou Wan, Agastya P. Bhati, David W. Wright 0001, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney. jcisd, 62(10):2561-2570, 2022. [doi]

2021

MAIP: a web service for predicting blood-stage malaria inhibitorsNicolas Bosc, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy N. Burrows, J. Mark F. Gardner, Andrew R. Leach. jcheminf, 13(1):13, 2021. [doi]

2020

2017

2015

WONKA: objective novel complex analysis for ensembles of protein-ligand structuresAnthony R. Bradley, Ian D. Wall, F. von Delft, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden. jcamd, 29(10):963-973, 2015. [doi]

2014

OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural DataAnthony R. Bradley, Ian D. Wall, Darren V. S. Green, Charlotte M. Deane, Brian D. Marsden. jcisd, 54(10):2636-2646, 2014. [doi]

2013

QSAR workbench: automating QSAR modeling to drive compound designRichard Cox, Darren V. S. Green, Christopher N. Luscombe, Noj Malcolm, Stephen D. Pickett. jcamd, 27(4):321-336, 2013. [doi]

2012

Computer-aided molecular design under the SWOTlightDarren V. S. Green, Andrew R. Leach, Martha S. Head. jcamd, 26(1):51-56, 2012. [doi]

2004

The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening DataGavin Harper, Gianpaolo Bravi, Stephen D. Pickett, Jameed Hussain, Darren V. S. Green. jcisd, 44(6):2145-2156, 2004. [doi]

2003

Optimizing the Size and Configuration of Combinatorial LibrariesTrudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett. jcisd, 43(2):381-390, 2003. [doi]

2002

Combinatorial Library Design Using a Multiobjective Genetic AlgorithmValerie J. Gillet, Wael Khatib, Peter Willett 0002, Peter J. Fleming, Darren V. S. Green. jcisd, 42(2):375-385, 2002. [doi]

2001

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel DiscriminationGavin Harper, John Bradshaw, John C. Gittins, Darren V. S. Green, Andrew R. Leach. jcisd, 41(5):1295-1300, 2001. [doi]

2000

PLUMS: a Program for the Rapid Optimization of Focused LibrariesGianpaolo Bravi, Darren V. S. Green, Michael M. Hann, Andrew R. Leach. jcisd, 40(6):1441-1448, 2000. [doi]

Where Are the GaPs? A Rational Approach to Monomer Acquisition and SelectionAndrew R. Leach, Darren V. S. Green, Michael M. Hann, Duncan B. Judd, Andrew C. Good. jcisd, 40(5):1262-1269, 2000. [doi]

1999

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