Assessment of a Single Decoupling Alchemical Approach for the Calculation of the Absolute Binding Free Energies of Protein-Peptide Complexes

por Kilburg, Denise, Gallicchio, Emilio
Publicado 2018

Free Energy-Based Virtual Screening and Optimization of RNase H Inhibitors of HIV-1 Reverse Transcriptase

por Zhang, Baofeng, D’Erasmo, Michael P., Murelli, Ryan P., Gallicchio, Emilio
Publicado 2016

Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes

por Pal, Rajat Kumar, Gadhiya, Satishkumar, Ramsey, Steven, Cordone, Pierpaolo, Wickstrom, Lauren, Harding, Wayne W., Kurtzman, Tom, Gallicchio, Emilio
Publicado 2019

3,7-Dihydroxytropolones Inhibit Initiation of Hepatitis B Virus Minus-Strand DNA Synthesis

por Bak, Ellen, Miller, Jennifer T., Noronha, Andrea, Tavis, John, Gallicchio, Emilio, Murelli, Ryan P., Le Grice, Stuart F. J.
Publicado 2020

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

por Deng, Nanjie, Forli, Stefano, He, Peng, Perryman, Alex, Wickstrom, Lauren, Vijayan, R. S. K., Tiefenbrunn, Theresa, Stout, David, Gallicchio, Emilio, Olson, Arthur J., Levy, Ronald M.
Publicado 2014

Chimeric Rhinoviruses Displaying MPER Epitopes Elicit Anti-HIV Neutralizing Responses

por Yi, Guohua, Lapelosa, Mauro, Bradley, Rachel, Mariano, Thomas M., Dietz, Denise Elsasser, Hughes, Scott, Wrin, Terri, Petropoulos, Chris, Gallicchio, Emilio, Levy, Ronald M., Arnold, Eddy, Arnold, Gail Ferstandig
Publicado 2013

Correction: Chimeric Rhinoviruses Displaying MPER Epitopes Elicit Anti-HIV Neutralizing Responses

por Yi, Guohua, Lapelosa, Mauro, Bradley, Rachel, Mariano, Thomas M., Dietz, Denise Elsasser, Hughes, Scott, Wrin, Terri, Petropoulos, Chris, Gallicchio, Emilio, Levy, Ronald M., Arnold, Eddy, Arnold, Gail Ferstandig
Publicado 2013