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ORCIDCristiano Ruch Werneck Guimarães
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Journal Articles
- 2012
[j7]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)- [j6]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) - 2011
- [j5]Cristiano R. W. Guimarães, Brajesh K. Rai, Michael J. Munchhof, Shenping Liu, Jian Wang, Samit K. Bhattacharya, Leonard Buckbinder:
Understanding the Impact of the P-loop Conformation on Kinase Selectivity. J. Chem. Inf. Model. 51(6): 1199-1204 (2011) - 2010
- [j4]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) - 2008
- [j3]Cristiano Ruch Werneck Guimarães, Mario G. Cardozo:
MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization. J. Chem. Inf. Model. 48(5): 958-970 (2008) - 2007
- [j2]Gabriela Barreiro, Cristiano Ruch Werneck Guimarães, Ivan Tubert-Brohman, Theresa M. Lyons, Julian Tirado-Rives, William L. Jorgensen:
Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring. J. Chem. Inf. Model. 47(6): 2416-2428 (2007) - 2004
- [j1]Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P. Repasky, William L. Jorgensen:
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens. J. Comput. Chem. 25(1): 138-150 (2004)
Coauthor Index
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