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ORCIDAlan M. Mathiowetz
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Journal Articles
- 2022
[j6]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): 785-800 (2022)- 2019
- [j5]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): 4195-4208 (2019) - 2012
- [j4]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): 882-890 (2012) - [j3]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): 1114-1123 (2012) - 2010
- [j2]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): 547-559 (2010) - 1995
- [j1]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): 1405-1419 (1995)
Coauthor Index
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