Selected Publications
This selected—not exhaustive—list is organized by scientific theme rather than chronology. For the complete dated record, see PubMed or Scopus.
Molecular dynamics, allostery & data-driven methods
K294E Change in the Rotavirus Factory Forming Protein NSP2 Stabilizes a Rare C-Terminal Conformation
Nichols, S. L.; Hollis, T.; Salsbury, F. R.; Esstman, S. M.
Thrombin – A Molecular Dynamics Perspective
Wu, D.; Prem, A.; Xiao, J.; Salsbury, F. R.
Allosteric Modulation of Thrombin by Thrombomodulin: Insights from Logistic Regression and Statistical Analysis of Molecular Dynamics Simulations
Wu, D.; Salsbury, F. R., Jr.
Simulations Suggest Double Sodium Binding Induces Unexpected Conformational Changes in Thrombin
Wu, D.; Salsbury, F. R., Jr.
Unraveling the Role of Hydrogen Bonds in Thrombin via Two Machine Learning Methods
Wu, D.; Salsbury, F. R., Jr.
Light Chain Mutation Effects on the Dynamics of Thrombin
Wu, D.; Xiao, J.; Salsbury, F. R., Jr.
Na+-Binding Modes Involved in Thrombin's Allosteric Response as Revealed by Molecular Dynamics Simulations, Correlation Networks and Markov Modeling
Xiao, J.; Salsbury, F. R.
Using Correlated Motions to Determine Sufficient Sampling Times for Molecular Dynamics
Melvin, R. L.; Xiao, J.; Berenhaut, K. S.; Godwin, R. C.; Salsbury, F. R.
Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge
Melvin, R. L.; Godwin, R. C.; Xiao, J.; Thompson, W. G.; Berenhaut, K. S.; Salsbury, F. R., Jr.
Constant-pH Molecular Dynamics Using Continuous Titration Coordinates
Lee, M. S.; Salsbury, F. R., Jr.; Brooks, C. L., III
Nucleic acids, DNA repair & molecular therapeutics
TREX1 as a Novel Immunotherapeutic Target
Hemphill, W. O.; Simpson, S. R.; Liu, M.; Salsbury, F. R., Jr.; Hollis, T.; Grayson, J. M.; Perrino, F. W.
Structure and Dynamics of tRNAMet Containing Core Substitutions
Godwin, R. C.; Macnamara, L. M.; Alexander, R. W.; Salsbury, F. R., Jr.
MutSα's Multi-Domain Allosteric Response to Three DNA Damage Types Revealed by Machine Learning
Melvin, R. L.; Thompson, W. G.; Godwin, R. C.; Gmeiner, W. H.; Salsbury, F. R., Jr.
All-Atom Molecular Dynamics Indicates Ion-Dependent Behavior of a Therapeutic DNA Polymer
Melvin, R. L.; Gmeiner, W. H.; Salsbury, F. R.
All-Atom Molecular Dynamics Predicts Magnesium-Induced Hairpin in Chemically Perturbed RNA Analog of F10 Therapeutic
Melvin, R. L.; Gmeiner, W. H.; Salsbury, F. R., Jr.
All-Atom Molecular Dynamics Reveals Mechanism of Zinc Complexation with Therapeutic F10
Melvin, R. L.; Gmeiner, W. H.; Salsbury, F. R., Jr.
Amyloid, membrane assemblies & protein chemistry
Impact of Amidation on Aβ25–35 Aggregation
Etaka, J. C. E.; Lu, Y.; Kang, W.; Salsbury, F. R., Jr.; Derreumaux, P.
Structural Insight into Melatonin's Influence on the Conformation of Aβ42 Dimer Studied by Molecular Dynamics Simulation
Kang, W.; Lu, Y.; Etaka, J. C.; Salsbury, F. R., Jr.; Derreumaux, P.
Impact of A2T and D23N Mutations on C99 Homodimer Conformations
Lu, Y.; Salsbury, F. R., Jr.; Derreumaux, P.
Amyloid-β29–42 Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids
Lu, Y.; Shi, X. F.; Nguyen, P. H.; Sterpone, F.; Salsbury, F. R., Jr.; Derreumaux, P.
Experimentally Dissecting the Origins of Peroxiredoxin Catalysis
Nelson, K. J.; Perkins, A.; Van Swearingen, A. E. D.; Hartman, S.; Brereton, A. E.; Parsonage, D.; Salsbury, F. R., Jr.; Karplus, P. A.; Poole, L. B.
Complete record
Explore the indexed publication list
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