Freddie R. Salsbury - Publications

Affiliations: 
Wake Forest University, Winston-Salem, NC, United States 
Area:
Molecular Physics, Molecular Chemistry

58 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Lu Y, Shi X, Nguyen PH, Sterpone F, Salsbury FR, Derreumaux P. Amyloid-β(29-42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids. The Journal of Physical Chemistry. B. PMID 30813725 DOI: 10.1021/acs.jpcb.9b00431  1
2019 Xiao J, Salsbury FR. Na-binding modes involved in thrombin's allosteric response as revealed by molecular dynamics simulations, correlation networks and Markov modeling. Physical Chemistry Chemical Physics : Pccp. PMID 30724273 DOI: 10.1039/c8cp07293k  1
2018 Godwin RC, Macnamara LM, Alexander RW, Salsbury FR. Structure and Dynamics of tRNA Containing Core Substitutions. Acs Omega. 3: 10668-10678. PMID 30288458 DOI: 10.1021/acsomega.8b00280  1
2018 Melvin RL, Xiao J, Berenhaut KS, Godwin RC, Salsbury FR. Using correlated motions to determine sufficient sampling times for molecular dynamics. Physical Review. E. 98: 023307. PMID 30253618 DOI: 10.1103/PhysRevE.98.023307  1
2018 Xiao J, Melvin RL, Salsbury FR. Probing Light Chain Mutation Effects on Thrombin via Molecular Dynamics Simulations and Machine Learning. Journal of Biomolecular Structure & Dynamics. 1-55. PMID 29471734 DOI: 10.1080/07391102.2018.1445032  1
2018 Lu Y, Shi XF, Salsbury FR, Derreumaux P. Influence of electric field on the amyloid-β(29-42) peptides embedded in a membrane bilayer. The Journal of Chemical Physics. 148: 045105. PMID 29390813 DOI: 10.1063/1.5018459  1
2017 Melvin RL, Thompson WG, Godwin RC, Gmeiner WH, Salsbury FR. MutS's Multi-Domain Allosteric Response to Three DNA Damage Types Revealed by Machine Learning. Frontiers in Physics. 5. PMID 31938712 DOI: 10.3389/fphy.2017.00010  1
2017 Xiao J, Melvin RL, Salsbury FR. Mechanistic insights into thrombin's switch between "slow" and "fast" forms. Physical Chemistry Chemical Physics : Pccp. PMID 28849814 DOI: 10.1039/c7cp03671j  1
2017 Godwin RC, Gmeiner WH, Salsbury FR. All-atom molecular dynamics comparison of disease-associated zinc fingers. Journal of Biomolecular Structure & Dynamics. 1-14. PMID 28814200 DOI: 10.1080/07391102.2017.1363662  1
2017 Melvin RL, Gmeiner WH, Salsbury FR. All-atom MD indicates ion-dependent behavior of therapeutic DNA polymer. Physical Chemistry Chemical Physics : Pccp. PMID 28805211 DOI: 10.1039/c7cp03479b  1
2017 Melvin RL, Xiao J, Godwin RC, Berenhaut KS, Salsbury FR. Visualizing correlated motion with HDBSCAN clustering. Protein Science : a Publication of the Protein Society. PMID 28799290 DOI: 10.1002/pro.3268  1
2017 Melvin RL, Gmeiner WH, Salsbury FR. All-Atom MD Predicts Magnesium-Induced Hairpin in Chemically Perturbed RNA Analog of F10 Therapeutic. The Journal of Physical Chemistry. B. 121: 7803-7812. PMID 28745046 DOI: 10.1021/acs.jpcb.7b04724  1
2017 Lu Y, Shi XF, Salsbury FR, Derreumaux P. Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42). The Journal of Chemical Physics. 146: 145101. PMID 28411614 DOI: 10.1063/1.4979866  1
2017 Nelson KJ, Perkins A, Van Swearingen AE, Hartman S, Brereton AE, Parsonage D, Salsbury FR, Karplus PA, Poole LB. Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxidants & Redox Signaling. PMID 28375740 DOI: 10.1089/ars.2016.6922  1
2017 Godwin RC, Melvin RL, Gmeiner WH, Salsbury FR. Binding Site Configurations Probe the Structure and Dynamics of the Zinc Finger of NEMO (NF-κB Essential Modulator). Biochemistry. 56: 623-633. PMID 28035815 DOI: 10.1021/acs.biochem.6b00755  1
2016 Melvin RL, Godwin RC, Xiao J, Thompson WG, Berenhaut KS, Salsbury FR. Uncovering large-scale conformational change in molecular dynamics without prior knowledge. Journal of Chemical Theory and Computation. PMID 27802394 DOI: 10.1021/acs.jctc.6b00757  1
2016 Xiao J, Salsbury FR. Molecular dynamics simulations of aptamer-binding reveal generalized allostery in thrombin. Journal of Biomolecular Structure & Dynamics. 1-59. PMID 27794633 DOI: 10.1080/07391102.2016.1254682  1
2016 Melvin RL, Gmeiner WH, Salsbury FR. All-Atom Molecular Dynamics Reveals Mechanism of Zinc Complexation with Therapeutic F10. The Journal of Physical Chemistry. B. 120: 10269-10279. PMID 27606431 DOI: 10.1021/acs.jpcb.6b07753  1
2016 Melvin RL, Salsbury FR. Visualizing ensembles in structural biology. Journal of Molecular Graphics & Modelling. 67: 44-53. PMID 27179343 DOI: 10.1016/j.jmgm.2016.05.001  1
2016 Melvin RL, Gmeiner WH, Salsbury FR. All-atom molecular dynamics reveals mechanism of zinc complexation with therapeutic F10 Journal of Physical Chemistry B. 120: 10269-10279. DOI: 10.1021/acs.jpcb.6b07753  1
2015 Lu Y, Salsbury FR. Recapturing the Correlated Motions of Protein Using Coarse- Grained Models. Protein and Peptide Letters. 22: 654-9. PMID 26100687  1
2015 Lu Y, Salsbury FR. Autoinhibitory mechanisms of ERG studied by molecular dynamics simulations. Aip Advances. 5: 017130. PMID 25874157 DOI: 10.1063/1.4906572  1
2015 Godwin R, Gmeiner W, Salsbury FR. Importance of long-time simulations for rare event sampling in zinc finger proteins. Journal of Biomolecular Structure & Dynamics. 1-10. PMID 25734227 DOI: 10.1080/07391102.2015.1015168  1
2015 Lu Y, Salsbury FR. Recapturing the correlated motions of protein using coarse-grained models Protein and Peptide Letters. 22: 654-659.  1
2014 Stuart CH, Horita DA, Thomas MJ, Salsbury FR, Lively MO, Gmeiner WH. Site-specific DNA-doxorubicin conjugates display enhanced cytotoxicity to breast cancer cells. Bioconjugate Chemistry. 25: 406-13. PMID 24450459 DOI: 10.1021/bc4005427  1
2014 Negureanu L, Salsbury FR. Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα-DNA recognition complex. Journal of Biomolecular Structure & Dynamics. 32: 969-92. PMID 23799640 DOI: 10.1080/07391102.2013.799437  1
2013 AbdelHafez EM, Diamanduros A, Negureanu L, Luy Y, Bean JH, Zielke K, Crowe B, Vasilyeva A, Clodfelter JE, Aly OM, Abuo-Rahma GE, Scarpinato KD, Salsbury FR, King SB. Computational and synthetic studies towards improving rescinnamine as an inducer of MSH2-dependent apoptosis in cancer treatment. Molecular Cancer Biology. 1. PMID 25485184  1
2013 Negureanu L, Salsbury FR. Destabilization of the MutSα's protein-protein interface due to binding to the DNA adduct induced by anticancer agent carboplatin via molecular dynamics simulations. Journal of Molecular Modeling. 19: 4969-89. PMID 24061854 DOI: 10.1007/s00894-013-1998-2  1
2013 Ghosh S, Salsbury FR, Horita DA, Gmeiner WH. Cooperative stabilization of Zn(2+):DNA complexes through netropsin binding in the minor groove of FdU-substituted DNA. Journal of Biomolecular Structure & Dynamics. 31: 1301-10. PMID 23153072 DOI: 10.1080/07391102.2012.732343  1
2012 Salsbury FR, Poole LB, Fetrow JS. Electrostatics of cysteine residues in proteins: parameterization and validation of a simple model. Proteins. 80: 2583-91. PMID 22777874 DOI: 10.1002/prot.24142  1
2012 Negureanu L, Salsbury FR. The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes. Journal of Biomolecular Structure & Dynamics. 30: 347-61. PMID 22712459 DOI: 10.1080/07391102.2012.680034  1
2012 Salsbury FR, Yuan Y, Knaggs MH, Poole LB, Fetrow JS. Structural and electrostatic asymmetry at the active site in typical and atypical peroxiredoxin dimers. The Journal of Physical Chemistry. B. 116: 6832-43. PMID 22401569 DOI: 10.1021/jp212606k  1
2012 Negureanu L, Salsbury FR. Insights into protein - DNA interactions, stability and allosteric communications: a computational study of mutSα-DNA recognition complexes. Journal of Biomolecular Structure & Dynamics. 29: 757-76. PMID 22208277 DOI: 10.1080/07391102.2012.10507412  1
2011 Gassman NR, Clodfelter JE, McCauley AK, Bonin K, Salsbury FR, Scarpinato KD. Cooperative nuclear localization sequences lend a novel role to the N-terminal region of MSH6. Plos One. 6: e17907. PMID 21437237 DOI: 10.1371/journal.pone.0017907  1
2011 Ghosh S, Salsbury FR, Horita DA, Gmeiner WH. Zn2+ selectively stabilizes FdU-substituted DNA through a unique major groove binding motif. Nucleic Acids Research. 39: 4490-8. PMID 21296761 DOI: 10.1093/nar/gkr029  1
2010 Salsbury FR. Molecular dynamics simulations of protein dynamics and their relevance to drug discovery. Current Opinion in Pharmacology. 10: 738-44. PMID 20971684 DOI: 10.1016/j.coph.2010.09.016  1
2010 Yuan Y, Knaggs M, Poole L, Fetrow J, Salsbury F. Conformational and oligomeric effects on the cysteine pK(a) of tryparedoxin peroxidase. Journal of Biomolecular Structure & Dynamics. 28: 51-70. PMID 20476795 DOI: 10.1080/07391102.2010.10507343  1
2010 Salsbury FR. Effects of Cisplatin binding to DNA on the dynamics of the E. Coli MutS dimer. Protein and Peptide Letters. 17: 744-50. PMID 19995335  1
2009 Salsbury FR, Crowder MW, Kingsmore SF, Huntley JJ. Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor. Journal of Molecular Modeling. 15: 133-45. PMID 19039608 DOI: 10.1007/s00894-008-0410-0  1
2009 Vasilyeva A, Clodfelter JE, Rector B, Hollis T, Scarpinato KD, Salsbury FR. Small molecule induction of MSH2-dependent cell death suggests a vital role of mismatch repair proteins in cell death. Dna Repair. 8: 103-13. PMID 18955167 DOI: 10.1016/j.dnarep.2008.09.008  1
2008 Salsbury FR, Knutson ST, Poole LB, Fetrow JS. Functional site profiling and electrostatic analysis of cysteines modifiable to cysteine sulfenic acid. Protein Science : a Publication of the Protein Society. 17: 299-312. PMID 18227433 DOI: 10.1110/ps.073096508  1
2007 Knaggs MH, Salsbury FR, Edgell MH, Fetrow JS. Insights into correlated motions and long-range interactions in CheY derived from molecular dynamics simulations. Biophysical Journal. 92: 2062-79. PMID 17172298 DOI: 10.1529/biophysj.106.081950  1
2006 Salsbury FR, Clodfelter JE, Gentry MB, Hollis T, Scarpinato KD. The molecular mechanism of DNA damage recognition by MutS homologs and its consequences for cell death response. Nucleic Acids Research. 34: 2173-85. PMID 16648361 DOI: 10.1093/nar/gkl238  1
2006 Salsbury FR. Analysis of errors in Still's equation for macromolecular electrostatic solvation energies Molecular Physics. 104: 1299-1309. DOI: 10.1080/00268970500525879  1
2004 Lee MS, Salsbury FR, Olson MA. An efficient hybrid explicit/implicit solvent method for biomolecular simulations. Journal of Computational Chemistry. 25: 1967-78. PMID 15470756 DOI: 10.1002/jcc.20119  1
2004 Lee MS, Salsbury FR, Brooks CL. Constant-pH molecular dynamics using continuous titration coordinates. Proteins. 56: 738-52. PMID 15281127 DOI: 10.1002/prot.20128  1
2004 Drotschmann K, Topping RP, Clodfelter JE, Salsbury FR. Mutations in the nucleotide-binding domain of MutS homologs uncouple cell death from cell survival. Dna Repair. 3: 729-42. PMID 15177182 DOI: 10.1016/j.dnarep.2004.02.011  1
2004 Thomas LR, Henson A, Reed JC, Salsbury FR, Thorburn A. Direct binding of Fas-associated death domain (FADD) to the tumor necrosis factor-related apoptosis-inducing ligand receptor DR5 is regulated by the death effector domain of FADD. The Journal of Biological Chemistry. 279: 32780-5. PMID 15173180 DOI: 10.1074/jbc.M401680200  1
2003 Salsbury FR, Han WG, Noodleman L, Brooks CL. Temperature-dependent behavior of protein-chromophore interactions: a theoretical study of a blue fluorescent antibody. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 4: 848-55. PMID 12961983 DOI: 10.1002/cphc.200300694  1
2003 Lee MS, Feig M, Salsbury FR, Brooks CL. New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations. Journal of Computational Chemistry. 24: 1348-56. PMID 12827676 DOI: 10.1002/jcc.10272  1
2002 Lee MS, Salsbury FR, Brooks CL. Novel generalized Born methods Journal of Chemical Physics. 116: 10606-10614. DOI: 10.1063/1.1480013  1
2001 Salsbury FR, Crowley MF, Brooks CL. Modeling of the metallo-beta-lactamase from B. fragilis: structural and dynamic effects of inhibitor binding. Proteins. 44: 448-59. PMID 11484222 DOI: 10.1002/prot.1110  1
1998 Salsbury FR, Harris RA. The origin of the magnetic-field-dependent quadrupolar splitting Journal of Chemical Physics. 109: 8338-8341. DOI: 10.1063/1.477627  0.92
1998 Harris RA, Salsbury FR. The exchange energy functional in a weak magnetic field Journal of Chemical Physics. 109: 2609-2613. DOI: 10.1063/1.476874  0.92
1998 Salsbury FR, Harris RA. Estimation of the Fermi contact contribution to the xenon-hydrogen and xenon-xenon spin-spin coupling constants Molecular Physics. 94: 307-312.  0.92
1998 Salsbury FR, Harris RA. A nonlocal current density functional for magnetic responses Journal of Chemical Physics. 108: 6102-6108.  0.92
1997 Salsbury FR, Harris RA. Hydrogen chemical shieldings in small molecules: A magnetic field density functional approach Chemical Physics Letters. 279: 247-251.  0.92
1997 Salsbury FR, Harris RA. The current in magnetic field density functional theory and its application to the chemical shielding and magnetic susceptibility Journal of Chemical Physics. 107: 7350-7359.  0.92
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