Quantitative Prediction of Fold Resistance for Inhibitors of EGFR

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

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

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

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

Homologous ligands accommodated by discrete conformations of a buried cavity

Por Merski, Matthew, Fischer, Marcus, Balius, Trent E., Eidam, Oliv, Shoichet, Brian K.
Publicado no Proc Natl Acad Sci U S A (2015)

Customizable de novo Design Strategies for DOCK: Application to HIVgp41 and Other Therapeutic Targets

Por Allen, William J., Fochtman, Brian C., Balius, Trent E., Rizzo, Robert C.
Publicado no J Comput Chem (2017)

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

Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking

Por Wan, Xiaobo, Yang, Tangpo, Cuesta, Adolfo, Pang, Xiaming, Balius, Trent E., Irwin, John, Shoichet, Brian K., Taunton, Jack
Publicado no J Am Chem Soc (2020)

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

Testing inhomogeneous solvation theory in structure-based ligand discovery

Por Balius, Trent E., Fischer, Marcus, Stein, Reed M., Adler, Thomas B., Nguyen, Crystal N., Cruz, Anthony, Gilson, Michael K., Kurtzman, Tom, Shoichet, Brian K.
Publicado no Proc Natl Acad Sci U S A (2017)

DOCK 6: Impact of New Features and Current Docking Performance

Por Allen, William J., Balius, Trent E., Mukherjee, Sudipto, Brozell, Scott R., Moustakas, Demetri T., Lang, P. Therese, Case, David A., Kuntz, Irwin D., Rizzo, Robert C.
Publicado no J Comput Chem (2015)

The small molecule BI-2852 induces a nonfunctional dimer of KRAS

Por Tran, Timothy H., Alexander, Patrick, Dharmaiah, Srisathiyanarayanan, Agamasu, Constance, Nissley, Dwight V., McCormick, Frank, Esposito, Dominic, Simanshu, Dhirendra K., Stephen, Andrew G., Balius, Trent E.
Publicado no Proc Natl Acad Sci U S A (2020)

Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange

Por Nnadi, Chimno I., Jenkins, Meredith L., Gentile, Daniel R., Bateman, Leslie A., Zaidman, Daniel, Balius, Trent E., Nomura, Daniel K., Burke, John E., Shokat, Kevan M., London, Nir
Publicado no J Chem Inf Model (2018)

Ultra-large library docking for discovering new chemotypes

Por Lyu, Jiankun, Wang, Sheng, Balius, Trent E., Singh, Isha, Levit, Anat, Moroz, Yurii S., O’Meara, Matthew J., Che, Tao, Algaa, Enkhjargal, Tolmachova, Kateryna, Tolmachev, Andrey A., Shoichet, Brian K., Roth, Bryan L., Irwin, John J.
Publicado no Nature (2019)