Steven R. Shave - researchr alias

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Viewing Publication 1 - 8 from 8

2023

OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity techniqueYan-Kai Chen, Douglas R. Houston, Manfred Auer, Steven R. Shave. jossw, 8(92):5763, December 2023. [doi]

From intuition to AI: evolution of small molecule representations in drug discoveryMiles McGibbon, Steven R. Shave, Jie Dong, Yumiao Gao, Douglas R. Houston, Jiancong Xie, Yuedong Yang, Philippe Schwaller, Vincent Blay. bib, 25(1), November 2023. [doi]

2022

CLAffinity: A Software Tool for Identification of Optimum Ligand Affinity for Competition-Based Primary ScreensSteven R. Shave, Nhan T. Pham, Manfred Auer. jcisd, 62(10):2264-2268, 2022. [doi]

2021

PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems at EquilibriumSteven R. Shave, Yan-Kai Chen, Nhan T. Pham, Manfred Auer. jcisd, 61(6):2911-2915, 2021. [doi]

2013

CSBB-ConeExclusion, Adapting Structure Based Solution Virtual Screening to Libraries on Solid SupportSteven R. Shave, Manfred Auer. jcisd, 53(12):3156-3162, 2013. [doi]

2012

Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screeningChian Teo, Steven R. Shave, Adam Thean Chor, Abu Salleh, Mohd Basyaruddin Abdul Rahman, Malcolm D. Walkinshaw, Bimo A. Tejo. bmcbi, 13(S-17), 2012. [doi]

2011

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilitiesKun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andrew C. Hinton, Paul Taylor, Malcolm D. Walkinshaw. nar, 39(Database-Issue):1042-1048, 2011. [doi]

2008

Ligand discovery on massively parallel systemsSteven R. Shave, Paul Taylor, Malcolm Walkinshaw, Lorna Smith, Judy Hardy, Arthur Trew. ibmrd, 52(1-2):57-68, 2008. [doi]

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