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John H. Van Drie
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2020 – today
- 2022
- [j9]John H. Van Drie
:
Hit diffusion: limitations to drug discovery and structure-based design. J. Comput. Aided Mol. Des. 36(5): 373-379 (2022)
2010 – 2019
- 2015
- [j8]Nikolaus Stiefl, Peter Gedeck
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. 55(4): 896-908 (2015)
2000 – 2009
- 2008
- [j7]Rajarshi Guha, John H. Van Drie:
Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs. J. Chem. Inf. Model. 48(3): 646-658 (2008) - [j6]Rajarshi Guha, John H. Van Drie:
Assessing How Well a Modeling Protocol Captures a Structure-Activity Landscape. J. Chem. Inf. Model. 48(8): 1716-1728 (2008) - 2007
- [j5]John H. Van Drie:
Computer-aided drug design: the next 20 years. J. Comput. Aided Mol. Des. 21(10-11): 591-601 (2007)
1990 – 1999
- 1997
- [j4]John H. Van Drie:
Strategies for the determination of pharmacophoric 3D database queries. J. Comput. Aided Mol. Des. 11(1): 39-52 (1997) - [j3]John H. Van Drie:
"Shrink-Wrap" Surfaces: A New Method for Incorporating Shape into Pharmacophoric 3D Database Searching. J. Chem. Inf. Comput. Sci. 37(1): 38-42 (1997) - 1996
- [j2]John H. Van Drie:
An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility. J. Comput. Aided Mol. Des. 10(6): 623-630 (1996)
1980 – 1989
- 1989
- [j1]John H. Van Drie, David Weininger, Yvonne C. Martin:
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures. J. Comput. Aided Mol. Des. 3(3): 225-251 (1989)
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