A. Skillman

发表

Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II.

I D Kuntz, A G Skillman, T J Ewing, 1999, Journal of medicinal chemistry.

Development and screening of a polyketide virtual library for drug leads against a motilide pharmacophore11Color Plates for this article are on pages 539–540.

I. Kuntz, D. Santi, G. Ashley, 2000 .

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

I D Kuntz, A G Skillman, T J Ewing, 1997, Chemistry & biology.

A novel mechanism for inhibition of HIV-1 reverse transcriptase.

Irwin D Kuntz, Stephen H Hughes, Robert J Fisher, 2002, Bioorganic chemistry.

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

Todd J. A. Ewing, Irwin D. Kuntz, A. Geoffrey Skillman, 2001, J. Comput. Aided Mol. Des..

Development and screening of a polyketide virtual library for drug leads against a motilide pharmacophore.

I D Kuntz, A G Skillman, I. Kuntz, 2000, Journal of molecular graphics & modelling.

Rational design of novel antimicrobials: blocking purine salvage in a parasitic protozoan.

I. Kuntz, R. Fletterick, J. R. Somoza, 1998, Biochemistry.

Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories

David N. LeBard, Anthony T. Bogetti, L. Chong, 2021, J. Chem. Inf. Model..

Novel Cathepsin D Inhibitors Block the Formation of Hyperphosphorylated Tau Fragments in Hippocampus

G Lynch, I D Kuntz, A G Skillman, 2000, Journal of neurochemistry.

Design, docking, and evaluation of multiple libraries against multiple targets

Malin M. Young, J R Arnold, I D Kuntz, 2001, Proteins.

CombiDOCK: Structure-based combinatorial docking and library design

I D Kuntz, A G Skillman, Y Sun, 1998, Journal of computer-aided molecular design.

SAMPL3: blinded prediction of host–guest binding affinities, hydration free energies, and trypsin inhibitors

A. Geoffrey Skillman, A. Skillman, 2012, Journal of Computer-Aided Molecular Design.