Voxelotor (Oxbryta) binds multiple hemoglobin sites and influences protein structure

Cueva Tamanaha, M.d.l, Cabrera, E. F., Sargeant, J., Gershon, P. D., Samuel Russell, P.P., and Cocco, M. J. 

Preprint (2025) bioRxiv 2025.05.12.653546 

Enzymes in a human cytoplasm model organize into submetabolon complexes

Samuel Russell, P.P., Rickard, M.M., Pogorelov, T.V., and Gruebele, M.

Proceedings of the National Academy of Science (2025) journal PubMed Central 

Premila's publications prior to SLU

Metastable states in the hinge-bending landscape of an enzyme in an atomistic cytoplasm simulation

Samuel Russell, P.P., Maytin, A.K., Rickard, M.M., Russell, M.C., Pogorelov, T.V., and Gruebele, M. 

Journal of Physical Chemistry Letters (2024) journal PubMed Central 

Hydrogen bonding heterogeneity correlates with protein folding transition state passage time as revealed by data sonification

Scaletti, C., Samuel Russell, P. P., Hebel, K. J., Rickard, M.M., Boob, M., Danksagmüller, F., Taylor, S. A., Pogorelov, T.V., and Gruebele, M.

Proceedings of the National Academy of Science (2024) journal PubMed Central

In silico protein dynamics in the human cytoplasm: partial folding, misfolding, fold switching, and non-native interactions

Samuel Russell, P.P., Rickard, M.M., Boob, M., Gruebele, M., and Pogorelov, T.V.

Protein Science (2023) journal PubMed Central

In-cell dynamics: the next focus of all-atom simulations

Samuel Russell, P.P., Alaeen, S., and Pogorelov, T.V. 

Journal of Physical Chemistry B (2023) journal PubMed Central

Selected as journal’s cover article

Metabolons, quinary structure, and domain motion: enzyme choreography in the cytoplasm

Samuel Russell, P.P., Rickard, M.M., Pogorelov, T.V., and Gruebele, M.

Preprint (2022) bioRxiv 2022.09.13.507800

Atomistic simulations of heme dissociation pathways in human methemoglobins reveal hidden intermediates. 

Samuel, P.P. and Case, D.A. 

Biochemistry (2020) journal PubMed Central

The interplay between molten globules and heme disassociations defines human hemoglobin disassembly 

Samuel, P.P.*, White, M.A., Ou, W.C., Case, D.A., Phillips, G.N. Jr., and Olson, J.S.* (*co-corresponding authors)

Biophysical Journal (2020) journal PubMed Central

Highlighted as New and Notable by Professor Juliette T.J. Lecomte in the journal

Current challenges in the development of acellular hemoglobin oxygen carriers by protein engineering

Cardenas, A.S.B., Samuel, P.P., and Olson, J.S.

Shock (2019) journal PubMed Central

Mechanism of Human Apohemoglobin Unfolding

Samuel, P.P., Ou, W.C., Phillips, G.N. Jr., and Olson, J.S.

Biochemistry (2017) journal PubMed Central

Hemoglobin Kirklareli (αH58L), a New Variant Associated with Fe Deficiency and Increased CO Binding

Bissé, E., Schaeffer-Reiss, C., Van Dorsselaer, A., Alayi, T.D., Epting, T., Winkler, K., Benitez Cardenas, A.S., Soman, J., Birukou, I., Samuel, P.P., and Olson, J.S. 

Journal of Biological Chemistry (2017) journal PubMed Central

Engineering oxidative stability in human hemoglobin based on the Hb providence (βK82D) mutation and genetic cross-linking

Strader, M.B., Bangle, R., Parker Siburt, C.J., Varnado, C.L., Soman, J., Benitez Cardenas, A.S., Samuel, P.P., Singleton, E.W., Crumbliss, A.L., Olson, J.S., Alayash, A.I.

Biochemical Journal (2017) journal PubMed Central

Apoglobin Stability Is the Major Factor Governing both Cell-free and in Vivo Expression of Holomyoglobin

Samuel, P.P., Smith, L.P., Phillips, G.N., Jr., and Olson, J.S.

Journal of Biological Chemistry (2015) journal PubMed Central

F1000Prime recommended by Professor Martin Gruebele

Paper of the Week awarded by Journal of Biological Chemistry

Premila's dissertation

Expression, Folding, and Assembly Mechanisms of Monomeric Myoglobins and Oligomeric Hemoglobins

Rice University, Department of Biosciences (2017) Rice Research Repository