Alan M. Mathiowetz

According to our database, Alan M. Mathiowetz authored at least 6 papers between 1995 and 2022.

Collaborative distances:

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

2022

TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken

J. Chem. Inf. Model., 2022

2019

Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken

J. Chem. Inf. Model., 2019

2012

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

Meihua Tu, Brajesh K. Rai, Alan M. Mathiowetz, Mary Didiuk, Jeffrey A. Pfefferkorn, Angel Guzman-Perez, John Benbow, Cristiano R. W. Guimarães, Scot Mente, Matthew M. Hayward, Spiros Liras

J. Chem. Inf. Model., 2012

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

Cristiano R. W. Guimarães, Alan M. Mathiowetz, Marina Shalaeva, Gilles Goetz, Spiros Liras

J. Chem. Inf. Model., 2012

2010

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

J. Chem. Inf. Model., 2010

1995

Docking Flexible Molecules: A Case Study of Three Proteins.

Richard S. Judson, Y. T. Tan, E. Mori, C. Melius, Edward P. Jaeger, Adi M. Treasurywala, Alan M. Mathiowetz

J. Comput. Chem., 1995