John H. Van Drie

According to our database, John H. Van Drie authored at least 9 papers between 1989 and 2022.

Collaborative distances:

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

2022

Hit diffusion: limitations to drug discovery and structure-based design.

John H. Van Drie

J. Comput. Aided Mol. Des., 2022

2015

FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

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

J. Chem. Inf. Model., 2015

2008

Assessing How Well a Modeling Protocol Captures a Structure-Activity Landscape.

Rajarshi Guha, John H. Van Drie

J. Chem. Inf. Model., 2008

Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs.

Rajarshi Guha, John H. Van Drie

J. Chem. Inf. Model., 2008

2007

Computer-aided drug design: the next 20 years.

John H. Van Drie

J. Comput. Aided Mol. Des., 2007

1997

"Shrink-Wrap" Surfaces: A New Method for Incorporating Shape into Pharmacophoric 3D Database Searching.

John H. Van Drie

J. Chem. Inf. Comput. Sci., 1997

Strategies for the determination of pharmacophoric 3D database queries.

John H. Van Drie

J. Comput. Aided Mol. Des., 1997

1996

An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility.

John H. Van Drie

J. Comput. Aided Mol. Des., 1996

1989

ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures.

John H. Van Drie, David Weininger, Yvonne C. Martin

J. Comput. Aided Mol. Des., 1989