Pharmacophore-Based Similarity Scoring for DOCK

Por Jiang, Lingling, Rizzo, Robert C.
Publicado no J Phys Chem B (2014)

Calculation of Binding Free Energies for Non-zinc Chelating Pyrimidine Dicarboxamide Inhibitors with MMP-13

Por Carrascal, Noel A., Rizzo, Robert C.
Publicado em 2008

Quantitative Prediction of Fold Resistance for Inhibitors of EGFR

Por Balius, Trent E., Rizzo, Robert C.
Publicado em 2009

Computer-Aided Approaches for Targeting HIVgp41

Por Allen, William J., Rizzo, Robert C.
Publicado em 2012

Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design

Por Allen, William J., Rizzo, Robert C.
Publicado em 2014

Docking Validation Resources: Protein Family and Ligand Flexibility Experiments

Por Mukherjee, Sudipto, Balius, Trent E., Rizzo, Robert C.
Publicado em 2010

Implementation and Evaluation of a Docking-Rescoring Method using Molecular Footprint Comparisons

Por Balius, Trent E., Mukherjee, Sudipto, Rizzo, Robert C.
Publicado em 2011

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

Por Hornak, Viktor, Okur, Asim, Rizzo, Robert C., Simmerling, Carlos
Publicado em 2006

HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state

Por Hornak, Viktor, Okur, Asim, Rizzo, Robert C., Simmerling, Carlos
Publicado em 2006

Strategies for Lead Discovery: Application of Footprint Similarity Targeting HIVgp41

Por Holden, Patrick M., Allen, William J., Gochin, Miriam, Rizzo, Robert C.
Publicado em 2013

Grid-based Molecular Footprint Comparison Method for Docking and De Novo Design: Application to HIVgp41

Por Balius, Trent E., Allen, William J., Mukherjee, Sudipto, Rizzo, Robert C.
Publicado em 2013

Inhibition of HIV Entry by Targeting the Envelope Transmembrane Subunit gp41

Por Yi, Hyun Ah, Fochtman, Brian C., Rizzo, Robert C., Jacobs, Amy
Publicado no Curr HIV Res (2016)

Origins of Resistance to the HIVgp41 Viral Entry Inhibitor T20

Por McGillick, Brian E., Balius, Trent E., Mukherjee, Sudipto, Rizzo, Robert C.
Publicado em 2010

Footprint-based identification of viral entry inhibitors targeting HIVgp41

Por Holden, Patrick M., Kaur, Harmeet, Goyal, Rashi, Gochin, Miriam, Rizzo, Robert C.
Publicado em 2012

Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation

Por Allen, William J., Yi, Hyun Ah, Gochin, Miriam, Jacobs, Amy, Rizzo, Robert C.
Publicado no Bioorg Med Chem Lett (2015)

Evaluation of DOCK 6 as a pose generation and database enrichment tool

Por Brozell, Scott R., Mukherjee, Sudipto, Balius, Trent E., Roe, Daniel R., Case, David A., Rizzo, Robert C.
Publicado em 2012

Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis

Por Furt, Fabienne, Allen, William J., Widhalm, Joshua R., Madzelan, Peter, Rizzo, Robert C., Basset, Gilles, Wilson, Mark A.
Publicado em 2013

Structural basis for ceramide recognition and hydrolysis by human Neutral Ceramidase

Por Airola, Michael V., Allen, William J., Pulkoski-Gross, Michael J., Obeid, Lina M., Rizzo, Robert C., Hannun, Yusuf A.
Publicado no Structure (2015)

Targeting Fatty Acid Binding Protein (FABP) Anandamide Transporters – A Novel Strategy for Development of Anti-Inflammatory and Anti-Nociceptive Drugs

Por Berger, William T., Ralph, Brian P., Kaczocha, Martin, Sun, Jing, Balius, Trent E., Rizzo, Robert C., Haj-Dahmane, Samir, Ojima, Iwao, Deutsch, Dale G.
Publicado em 2012

Small Molecule Anti-Cancer Compounds Selectively Target the Hemopexin Domain of Matrix Metalloproteinase-9 (MMP-9)

Por Dufour, Antoine, Sampson, Nicole S., Li, Jian, Kuscu, Cem, Rizzo, Robert C., DeLeon, Jennifer L., Zhi, Jizu, Jaber, Nadia, Liu, Eric, Zucker, Stanley, Cao, Jian
Publicado em 2011