All Faculty and Research Staff Publications

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2008
Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue. Journal of Physical Chemistry B. 2008 ;112:5439-5448.
Murray JK, Sadowsky JD, Scalf M, Smith LM, Tomita Y, Gellman SH. Exploration of structure - Activity relationships among foldamer ligands for a specific protein binding site via parallel and split-and-mix library synthesis. Journal of Combinatorial Chemistry. 2008 ;10:204-215.
Peterson KJ, Sadowsky JD, Scheef EA, Pal S, Kourentzi KD, Willson RC, Bresnick EH, Sheibani N, Gellman SH. A fluorescence polarization assay for identifying ligands that bind to vascular endothelial growth factor. Analytical Biochemistry. 2008 ;378:8-14.
Horne WS, Gellman SH. Foldamers with Heterogeneous Backbones. Accounts of Chemical Research. 2008 ;41:1399-1408.
Chae PS, Wander MJ, Bowling AP, Laible PD, Gellman SH. Glycotripod amphiphiles for solubilization and stabilization of a membrane-protein superassembly: importance of branching in the hydrophilic portion. Chembiochem. 2008 ;9:1706-1709.
Boersma MD, Sadowsky JD, Tomita YA, Gellman SH. Hydrophile scanning as a complement to alanine scanning for exploring and manipulating protein-protein recognition: Application to the Bim BH3 domain. Protein Science. 2008 ;17:1232-1240.
Akkarawongsa R, Potocky TB, English EP, Gellman SH, Brandt CR. Inhibition of herpes simplex virus type 1 infection by cationic beta-peptides. Antimicrobial Agents and Chemotherapy. 2008 ;52:2120-2129.
Horne SW, Price JL, Gellman SH. Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly. Proceedings of the National Academy of Sciences of the United States of America. 2008 ;105:9151-9156.
Miller CA, Gellman SH, Abbott NL, De Pablo JJ. Mechanical stability of helical beta-peptides and a comparison of explicit and implicit solvent models. Biophysical Journal. 2008 ;95:3123-3136.
Pomerantz WC, Yuwono VM, Pizzey CL, Hartgerink JD, Abbott NL, Gellman SH. Nanofibers and lyotropic liquid crystals from a class of self-assembling beta-peptides. Angewandte Chemie-International Edition. 2008 ;47:1241-1244.
Hadley EB, Testa OD, Woolfson DN, Gellman SH. Preferred side-chain constellations at antiparallel coiled-coil interfaces. Proceedings of the National Academy of Sciences of the United States of America. 2008 ;105:530-535.
Horne SW, Boersma MD, Windsor MA, Gellman SH. Sequence-based design of alpha/beta-peptide foldamers that mimic BH3 domains. Angewandte Chemie-International Edition. 2008 ;47:2853-2856.
Baquero EE, James, William H. III, Choi SH, Gellman SH, Zwier TS. Single-conformation ultraviolet and infrared spectroscopy of model synthetic foldamers: beta-peptides Ac-beta(3)-hPhe-NHMe and Ac-beta(3)-hTyr-NHMe. Journal of the American Chemical Society. 2008 ;130:4784-4794.
Baquero EE, James, William H. III, Choi SH, Gellman SH, Zwier TS. Single-conformation ultraviolet and infrared spectroscopy of model synthetic foldamers: beta-peptides Ac-beta(3)-hPhe-beta(3)-hAla-NHMe and Ac-beta(3)-hAla-beta(3)-hPhe-NHMe. Journal of the American Chemical Society. 2008 ;130:4795-4807.
Lee MR, Stahl SS, Gellman SH. Synthesis of beta-Lactams Bearing Functionalized Side Chains from a Readily Available Precursor. Organic Letters. 2008 ;10:5317-5319.
2007
Sadowsky JD, Douglas Fairlie W, Hadley EB, Lee H-S, Umezawa N, Nikolovska-Coleska Z, Wang S, Huang DCS, Tomita Y, Gellman SH. (alpha/beta+alpha)-Peptide antagonists of BH3 Domain/Bcl-x(L) recognition: Toward general strategies for foldamer-based inhibition of protein-protein interactions. Journal of the American Chemical Society. 2007 ;129:139-154.
Bell CM, Kissounko DA, Gellman SH, Stahl SS. Catalytic metathesis of simple secondary amides. Angewandte Chemie-International Edition. 2007 ;46:761-763.
Choi SH, Guzei IA, Gellman SH. Crystallographic characterization of the α/β-peptide 14/15-helix. Journal of the American Chemical Society. 2007 ;129:13780-13781.
Price JL, Horne SW, Gellman SH. Discrete heterogeneous quaternary structure formed by α/β-peptide foldamers and α-peptides. Journal of the American Chemical Society. 2007 ;129:6376-6377.
Sadowsky JD, Murray JK, Tomita Y, Gellman SH. Exploration of backbone space in foldamers containing alpha- and beta-amino acid residues: Developing protease-resistant oligomers that bind tightly to the BH3-recognition cleft of Bcl-x(L). Chembiochem. 2007 ;8:903-916.
Tang L, Hopper ED, Tong Y, Sadowsky JD, Peterson KJ, Gellman SH, Fitzgerald MC. H/D Exchange- and Mass Spectrometry-Based Strategy for the Thermodynamic Analysis of Protein-Ligand Binding. Analytical Chemistry. 2007 ;79:5869-5877.
Potocky TB, Silvius J, Menon AK, Gellman SH. HeLa cell entry by guanidinium-rich β-peptides: importance of specific cation-cell surface interactions. Chembiochem. 2007 ;8:917-926.
Choi SH, Guzei IA, Gellman SH. Helical secondary structures in alpha/beta-peptides by crystallographic characterization. Biopolymers. 2007 ;88:607-607.
Horne SW, Price JL, Keck JL, Gellman SH. Helix Bundle Quaternary Structure from α/β-Peptide Foldamers. Journal of the American Chemical Society. 2007 ;129:4178-4180.
Price JL, Home WS, Gellman SH. Heterogeneous helix-bundle quaternary structure formed by alpha/beta-peptide foldamers and alpha-peptides. Biopolymers. 2007 ;88:568-568.
Schmitt MA, Weisblum B, Gellman SH. Interplay among folding, sequence, and lipophilicity in the antibacterial and hemolytic activities of alpha/beta-peptides. Journal of the American Chemical Society. 2007 ;129:417-428.
Pomerantz WC, Pizzey C, Yuwono V, Paramanov S, Hartgerink J, Gellman SH, Abbott NL. Lyotropic liquid crystals from designed helical beta peptides. Biopolymers. 2007 ;88:570-570.
Mowery BP, Lee SE, Kissounko DA, Epand RF, Epand RM, Weisblum B, Stahl SS, Gellman SH. Mimicry of antimicrobial host-defense peptides by random copolymers. Journal of the American Chemical Society. 2007 ;129:15474-15476.
Lee M-R, Raguse TL, Schinnerl M, Pomerantz WC, Wang X, Wipf P, Gellman SH. Origins of the high 14-helix propensity of cyclohexyl-rigidified residues in β-peptides. Organic Letters. 2007 ;9:1801-1804.
Murray JK, Gellman SH. Parallel synthesis of peptide libraries using microwave irradiation. Nature Protocols. 2007 ;2:624-631.
Chi Y, English EP, Pomerantz WC, Horne SW, Joyce LA, Alexander LR, Fleming WS, Hopkins EA, Gellman SH. Practical synthesis of enantiomerically pure beta(2)-amino acids via proline-catalyzed diastereoselective aminomethylation of aldehydes. Journal of the American Chemical Society. 2007 ;129:6050-6055.
Pomerantz WC, Cadwell KD, Hsu Y-J, Gellman SH, Abbott NL. Sequence dependent behavior of amphiphilic beta-peptides on gold surfaces. Chemistry of Materials. 2007 ;19:4436-4441.
Cornilescu G, Hadley EB, Woll MG, Markley JL, Gellman SH, Cornilescu CC. Solution structure of a small protein containing a fluorinated side chain in the core. Protein Science. 2007 ;16:14-19.
Murray JK, Gellman SH. Targeting protein-protein interactions: Lessons from p53/MDM2. Biopolymers. 2007 ;88:657-686.
Hadley EB, Witek AM, Freire F, Peoples AJ, Gellman SH. Thermodynamic analysis of β-sheet secondary structure by backbone thioester exchange. Angewandte Chemie-International Edition. 2007 ;46:7056-7059.
Kissounko DA, Hoerter JM, Guzei IA, Cui Q, Gellman SH, Stahl SS. Ti-IV-mediated reactions between primary amines and secondary carboxamides: Amidine formation versus transamidation. Journal of the American Chemical Society. 2007 ;129:1776-1783.
2006
Pal S, Wu J, Murray JK, Gellman SH, Wozniak MA, Keely PJ, Boyer ME, Gomez TM, Hasso SM, Fallon JF, et al. An antiangiogenic neurokinin-B/thromboxane A2 regulatory axis. Journal of Cell Biology. 2006 ;174:1047-1058.
Karlsson AJ, Pomerantz WC, Weisblum B, Gellman SH, Palecek SP. Antifungal activity from 14-helical β-peptides. Journal of the American Chemical Society. 2006 ;128:12630-12631.
Hadley EB, Gellman SH. An antiparallel alpha-helical coiled-coil model system for rapid assessment of side-chain recognition at the hydrophobic interface. Journal of the American Chemical Society. 2006 ;128:16444-16445.
Chi Y, Gellman SH. Enantioselective Organocatalytic Aminomethylation of Aldehydes: A Role for Ionic Interactions and Efficient Access to β2-Amino Acids. Journal of the American Chemical Society. 2006 ;128:6804-6805.
Pomerantz WC, Abbott NL, Gellman SH. Lyotropic Liquid Crystals from Designed Helical β-Peptides. Journal of the American Chemical Society. 2006 ;128:8730-8731.
Hoerter JM, Otte KM, Gellman SH, Stahl SS. Mechanism of Al-III-catalyzed transamidation of unactivated secondary carboxamides. Journal of the American Chemical Society. 2006 ;128:5177-5183.
Murray JK, Gellman SH. Microwave-assisted parallel synthesis of a 14-helical beta-peptide library. Journal of Combinatorial Chemistry. 2006 ;8:58-65.
Schmitt MA, Choi SH, Guzei IA, Gellman SH. New helical foldamers: Heterogeneous backbones with 1 : 2 and 2 : 1 alpha :beta-amino acid residue patterns. Journal of the American Chemical Society. 2006 ;128:4538-4539.
English EP, Chumanov RS, Gellman SH, Compton T. Rational development of beta-peptide inhibitors of human cytomegalovirus entry. Journal of Biological Chemistry. 2006 ;281:2661-2667.
Epand RF, Schmitt MA, Gellman SH, Epand RM. Role of membrane lipids in the mechanism of bacterial species selective toxicity by two α/β-antimicrobial peptides. Biochim. Biophys. Acta, Biomembr. 2006 ;1758:1343-1350.
Lai JR, Epand RF, Weisblum B, Epand RM, Gellman SH. Roles of salt and conformation in the biological and physicochemical behavior of protegrin-1 and designed analogues: Correlation of antimicrobial, hemolytic, and lipid bilayer-perturbing activities. Biochemistry. 2006 ;45:15718-15730.
Woll MG, Hadley EB, Mecozzi S, Gellman SH. Stabilizing and destabilizing effects of phenylalanine -> F-5-phenylalanine mutations on the folding of a small protein. Journal of the American Chemical Society. 2006 ;128:15932-15933.
Gellman SH. Structure and function in foldamers. Pept. Sci. 2006 ;43rd:72.
Fisk JD, Schmitt MA, Gellman SH. Thermodynamic Analysis of Autonomous Parallel β-Sheet Formation in Water. Journal of the American Chemical Society. 2006 ;128:7148-7149.

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