Alan M. Mathiowetz

Are 2D fingerprints still valuable for drug discovery?

Duc Duy Nguyen, Kaifu Gao, Vishnu Sresht, 2020, Physical chemistry chemical physics : PCCP.

Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation

Cristiano Ruch Werneck Guimarães, Alan M. Mathiowetz, Marina Shalaeva, 2012, J. Chem. Inf. Model..

Docking flexible molecules: A case study of three proteins

Richard S. Judson, E. Mori, Alan M. Mathiowetz, 1995, J. Comput. Chem..

Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

Brajesh K. Rai, Alan M. Mathiowetz, Meihua Tu, 2012, J. Chem. Inf. Model..

Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations

Cristiano Ruch Werneck Guimarães, Alan M. Mathiowetz, A. Mathiowetz, 2010, J. Chem. Inf. Model..

On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds

Yizhong Zhang, Matthew P. Jacobson, Alan M. Mathiowetz, 2011, Nature chemical biology.