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Journal Articles
- 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)- 2015
- [j8]Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard A. Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov:
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. 55(4): 896-908 (2015) - 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) - 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) - 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)
Coauthor Index
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