Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism
Durrant, Jacob D, Kochanek, Sarah E, Casalino, Lorenzo, Ieong, Pek U, Dommer, Abigail C, Amaro, Rommie E
Published in ACS central science (26.02.2020)
Published in ACS central science (26.02.2020)
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Multiscale simulation approaches to modeling drug–protein binding
Jagger, Benjamin R, Kochanek, Sarah E, Haldar, Susanta, Amaro, Rommie E, Mulholland, Adrian J
Published in Current opinion in structural biology (01.04.2020)
Published in Current opinion in structural biology (01.04.2020)
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Intramolecular Charge-Assisted Hydrogen Bond Strength in Pseudochair Carboxyphosphate
Kochanek, Sarah E, Clymer, Traci M, Pakkala, Venkata S, Hebert, Sebastien P, Reeping, Kyle, Firestine, Steven M, Evanseck, Jeffrey D
Published in The journal of physical chemistry. B (22.01.2015)
Published in The journal of physical chemistry. B (22.01.2015)
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Influenza Viral Envelope Simulation Reveals Novel Druggable Pockets on Surface Glycoproteins
Kochanek, Sarah E., Durrant, Jacob D., Amaro, Rommie E.
Published in Biophysical journal (02.02.2018)
Published in Biophysical journal (02.02.2018)
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