Cristiano Ruch Werneck Guimarães

According to our database, Cristiano Ruch Werneck Guimarães authored at least 7 papers between 2004 and 2012.

Collaborative distances:

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

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

2011

Understanding the Impact of the P-loop Conformation on Kinase Selectivity.

Cristiano R. W. Guimarães, Brajesh K. Rai, Michael J. Munchhof, Shenping Liu, Jian Wang, Samit K. Bhattacharya, Leonard Buckbinder

J. Chem. Inf. Model., 2011

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

2008

MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization.

Cristiano Ruch Werneck Guimarães, Mario G. Cardozo

J. Chem. Inf. Model., 2008

2007

Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring.

Gabriela Barreiro, Cristiano Ruch Werneck Guimarães, Ivan Tubert-Brohman, Theresa M. Lyons, Julian Tirado-Rives, William L. Jorgensen

J. Chem. Inf. Model., 2007

2004

Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens.

Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P. Repasky, William L. Jorgensen

J. Comput. Chem., 2004