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

by Denise Kilburg, Denise Kilburg, Emilio Gallicchio, Emilio Gallicchio, Emilio Gallicchio
Published 2018-03-01

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

by Baofeng Zhang, Michael P. D’Erasmo, Ryan P. Murelli, Emilio Gallicchio
Published 2016-09-01

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

by Rajat Kumar Pal, Satishkumar Gadhiya, Steven Ramsey, Pierpaolo Cordone, Lauren Wickstrom, Wayne W Harding, Tom Kurtzman, Emilio Gallicchio
Published 2019-01-01

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

by Ellen Bak, Jennifer T. Miller, Andrea Noronha, John Tavis, Emilio Gallicchio, Ryan P. Murelli, Stuart F. J. Le Grice
Published 2020-09-01

Chimeric rhinoviruses displaying MPER epitopes elicit anti-HIV neutralizing responses.

by Guohua Yi, Mauro Lapelosa, Rachel Bradley, Thomas M Mariano, Denise Elsasser Dietz, Scott Hughes, Terri Wrin, Chris Petropoulos, Emilio Gallicchio, Ronald M Levy, Eddy Arnold, Gail Ferstandig Arnold
Published 2013-01-01

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

by Guohua Yi, Mauro Lapelosa, Rachel Bradley, Thomas M Mariano, Denise Elsasser Dietz, Scott Hughes, Terri Wrin, Chris Petropoulos, Emilio Gallicchio, Ronald M Levy, Eddy Arnold, Gail Ferstandig Arnold
Published 2013-01-01