Alan M. Mathiowetz

Publication Activity (10 Years)

Years Active: 1995-2022
Publications (10 Years): 2

Top Topics

Chemical Reactions

Molecular Structures

Top Venues

J. Chem. Inf. Model.

Publications

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics. J. Chem. Inf. Model. 62 (4) (2022)
Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. J. Chem. Inf. Model. 59 (10) (2019)
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
Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template. J. Chem. Inf. Model. 52 (5) (2012)
Cristiano R. W. Guimarães, Alan M. Mathiowetz, Marina Shalaeva, Gilles Goetz, Spiros Liras
Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation. J. Chem. Inf. Model. 52 (4) (2012)
Cristiano Ruch Werneck Guimarães, Alan M. Mathiowetz
Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations. J. Chem. Inf. Model. 50 (4) (2010)
Richard S. Judson, Y. T. Tan, E. Mori, C. Melius, Edward P. Jaeger, Adi M. Treasurywala, Alan M. Mathiowetz
Docking Flexible Molecules: A Case Study of Three Proteins. J. Comput. Chem. 16 (11) (1995)