Steven R. Shave

According to our database, Steven R. Shave authored at least 8 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique.

Yan-Kai Chen, Douglas R. Houston, Manfred Auer, Steven R. Shave

J. Open Source Softw., December, 2023

From intuition to AI: evolution of small molecule representations in drug discovery.

Miles McGibbon, Steven R. Shave, Jie Dong, Yumiao Gao, Douglas R. Houston, Jiancong Xie, Yuedong Yang, Philippe Schwaller, Vincent Blay

Briefings Bioinform., November, 2023

2022

CLAffinity: A Software Tool for Identification of Optimum Ligand Affinity for Competition-Based Primary Screens.

Steven R. Shave, Nhan T. Pham, Manfred Auer

J. Chem. Inf. Model., 2022

2021

PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems at Equilibrium.

Steven R. Shave, Yan-Kai Chen, Nhan T. Pham, Manfred Auer

J. Chem. Inf. Model., 2021

2013

CSBB-ConeExclusion, Adapting Structure Based Solution Virtual Screening to Libraries on Solid Support.

Steven R. Shave, Manfred Auer

J. Chem. Inf. Model., 2013

2012

Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screening.

Chian Teo, Steven R. Shave, Adam Leow Thean Chor, Abu Salleh, Mohd Basyaruddin Abdul Rahman, Malcolm D. Walkinshaw, Bimo Ario Tejo

BMC Bioinform., 2012

2011

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities.

Kun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andrew C. Hinton, Paul Taylor, Malcolm D. Walkinshaw

Nucleic Acids Res., 2011

2008

Ligand discovery on massively parallel systems.

Steven R. Shave, Paul Taylor, Malcolm D. Walkinshaw, Lorna Smith, Judy Hardy, Arthur S. Trew

IBM J. Res. Dev., 2008