Publications

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Context-dependent redox properties of natural phenolic materials.
Kim E, Liu Y, Leverage WT, Yin JJ, White IM, Bentley WE, Payne GF. 2014. Context-dependent redox properties of natural phenolic materials. Biomacromolecules 15(5): 1653-62. DOI: 10.1021/bm500026x
Coding for hydrogel organization through signal guided self-assembly.
Yan K, Ding F, Bentley WE, Deng H, Du Y, Payne GF, Shi XW. 2014. Coding for hydrogel organization through signal guided self-assembly. Soft matter 10(3): 465-9. DOI: 10.1039/c3sm52405a
T cell receptor bias for MHC: co-evolution or co-receptors?
Rangarajan S, Mariuzza RA. 2014. T cell receptor bias for MHC: co-evolution or co-receptors? Cellular and molecular life sciences : CMLS 71(16): 3059-68. DOI: 10.1007/s00018-014-1600-9
Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.
Roe DR, Bergonzo C, Cheatham TE. 2014. Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods. The journal of physical chemistry. B 118(13): 3543-52. DOI: 10.1021/jp4125099
Complex formation between S100B protein and the p90 ribosomal S6 kinase (RSK) in malignant melanoma is calcium-dependent and inhibits extracellular signal-regulated kinase (ERK)-mediated phosphorylation of RSK.
Hartman KG, Vitolo MI, Pierce AD, Fox JM, Shapiro P, Martin SS, Wilder PT, Weber DJ. 2014. Complex formation between S100B protein and the p90 ribosomal S6 kinase (RSK) in malignant melanoma is calcium-dependent and inhibits extracellular signal-regulated kinase (ERK)-mediated phosphorylation of RSK. The Journal of biological chemistry 289(18): 12886-95. DOI: 10.1074/jbc.M114.561613
Single-cell and deep sequencing of IgG-switched macaque B cells reveal a diverse Ig repertoire following immunization.
Sundling C, Zhang Z, Phad GE, Sheng Z, Wang Y, Mascola JR, Li Y, Wyatt RT, Shapiro L, Karlsson Hedestam GB. 2014. Single-cell and deep sequencing of IgG-switched macaque B cells reveal a diverse Ig repertoire following immunization. Journal of immunology (Baltimore, Md. : 1950) 192(8): 3637-44. DOI: 10.4049/jimmunol.1303334
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.
Yu W, Lakkaraju SK, Raman EP, MacKerell AD. 2014. Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling. Journal of computer-aided molecular design 28(5): 491-507. DOI: 10.1007/s10822-014-9728-0
Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase.
Maltsev AS, Grishaev A, Roche J, Zasloff M, Bax A. 2014. Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase. Journal of the American Chemical Society 136(10): 3752-5. DOI: 10.1021/ja4132642
Interaction of apurinic/apyrimidinic endonuclease 2 (Apn2) with Myh1 DNA glycosylase in fission yeast.
Jin J, Hwang BJ, Chang PW, Toth EA, Lu AL. 2014. Interaction of apurinic/apyrimidinic endonuclease 2 (Apn2) with Myh1 DNA glycosylase in fission yeast. DNA repair 15: 1-10. DOI: 10.1016/j.dnarep.2014.01.001
Specific binding, uptake, and transport of ICAM-1-targeted nanocarriers across endothelial and subendothelial cell components of the blood-brain barrier.
Hsu J, Rappaport J, Muro S. 2014. Specific binding, uptake, and transport of ICAM-1-targeted nanocarriers across endothelial and subendothelial cell components of the blood-brain barrier. Pharmaceutical research 31(7): 1855-66. DOI: 10.1007/s11095-013-1289-8
Structural basis for inactivation of Giardia lamblia carbamate kinase by disulfiram.
Galkin A, Kulakova L, Lim K, Chen CZ, Zheng W, Turko IV, Herzberg O. 2014. Structural basis for inactivation of Giardia lamblia carbamate kinase by disulfiram. The Journal of biological chemistry 289(15): 10502-10509. DOI: 10.1074/jbc.M114.553123
Single molecule FRET reveals pore size and opening mechanism of a mechano-sensitive ion channel.
Wang Y, Liu Y, Deberg HA, Nomura T, Hoffman MT, Rohde PR, Schulten K, Martinac B, Selvin PR. 2014. Single molecule FRET reveals pore size and opening mechanism of a mechano-sensitive ion channel. eLife 3: e01834. DOI: 10.7554/eLife.01834
Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Tran K, Poulsen C, Guenaga J, de Val N, de Val Alda N, Wilson R, Sundling C, Li Y, Stanfield RL, Wilson IA, et al. 2014. Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proceedings of the National Academy of Sciences of the United States of America 111(7): E738-47. DOI: 10.1073/pnas.1319512111
Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion.
Roche J, Louis JM, Grishaev A, Ying J, Bax A. 2014. Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion. Proceedings of the National Academy of Sciences of the United States of America 111(9): 3425-30. DOI: 10.1073/pnas.1401397111
Computational design of the affinity and specificity of a therapeutic T cell receptor.
Pierce BG, Hellman LM, Hossain M, Singh NK, Vander Kooi CW, Weng Z, Baker BM. 2014. Computational design of the affinity and specificity of a therapeutic T cell receptor. PLoS computational biology 10(2): e1003478. DOI: 10.1371/journal.pcbi.1003478