2005
Determining the optimal size of small molecule mixtures for high throughput NMR screening, Kelly A. Mercier and Robert Powers
Cooperative effects in two-dimensional ring-like networks of three-center hydrogen bonding interactions, Ruben D. Parra, Satya S. Bulusu, and Xiao Cheng Zeng
Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes, Robert Powers, Nebojsa Mirkovic, Sharon Goldsmith-Fischman, Thomas B. Acton, Yi-wen Chiang, Yuanpeng J. Huang, LiChung Ma, P. K. Rajan, John R. Cort, Michael A. Kennedy, Jinfeng Liu, Burkhard Rost, Barry Honig, Diana Murray, and Gaetano T. Montelione
Using Databases and Computational Techniques to Infer the Function of Novel Proteins, Viswanathan Ramanathan, Kelly A. Mercier, Robert Powers, and Peter Revesz
Dissociative electron attachment to uracil deuterated at the N1 and N3 positions, A. M. Scheer, C. Silvernail, John A. Belot Jr., Gordon A. Gallup, and Paul Burrow
Biologically Active Fluorescent Farnesol Analogs, Roman Shchepin, Razvan Dumitru, Kenneth W. Nickerson, Miranda Lund, and Patrick Dussault
The elastic constants and related properties of β-HMX determined by Brillouin scattering, Lewis L. Stevens and Craig J. Eckhardt
A macroscopic kinetic model for DNA polymerase elongation and high-fidelity nucleotide election, Steve Viljoen, Mark A. Griep, Michael Nelson, and Hendrik J. Viljoen
Melting temperature of ice Ih calculated from coexisting solid-liquid phases, J. Wang, S. Yoo, Jaeil Bai, James R. Morris, and Xiao Cheng Zeng
Structures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20, Soohaeng Yoo and Xiao Cheng Zeng
Chlorella Virus-Encoded Deoxyuridine Triphosphatases Exhibit Different Temperature Optima, Yuanzheng Zhang, Hideaki Moriyama, Kohei Homma, and James L. Van Etten
Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials, H. Zhou, Ruqiang Feng, Dennis J. Diestler, and Xiao Cheng Zeng
2004
In situ enzymatic screening (ISES) of P,N-ligands for Ni(0)- mediated asymmetric intramolecular allylic amination, David B. Berkowitz, Weijun Shen, and Gourhari Maiti
Orientation and bonding of biphenyldimethyldithiol, A. N. Caruso, R. Rajesh, Gordon A. Gallup, Jody G. Redepenning, and Peter A. Dowben
Magnesium/Methanol: An Effective Reducing Agent for Peroxides , Peng Dai, Patrick Dussault, and Tony K. Trullinger
An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature, Dennis J. Diestler, Z.-B. Wu, and Xiao Cheng Zeng
Curtius rearrangement and Wolff homologation of functionalized peroxides, Patrick Dussault and Chunping Xu
Analysis of free analyte fractions by rapid affinity chromatography, David S. Hage and William A. Clarke
Nanoscale Hydrophobic Interaction and Nanobubble Nucleation, T. Koishi, S. Yoo, K. Yasuoka, Xiao Cheng Zeng, T. Narumi, R. Susukita, A. Kawai, H. Furusawa, A. Suenaga, N. Okimoto, N. Futatsugi, and T. Ebisuzaki
Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials, Yuji Koyama, Hideki Tanaka, Guangtu Gao, and Xiao Cheng Zeng
Surface composition and structure of Co3O4(110) and the effect of impurity segregation, S.C. Petitto and Marjorie Langell
1H, 13C, and 15N assignments for the Archaeglobus fulgidis protein AF2095, Robert Powers, Thomas B. Acton, Yi-wen Chiang, P. K. Rajan, John R. Cort, Michael A. Kennedy, Jinfeng Liu, LiChung Ma, Burkhard Rost, and Gaetano T. Montelione
Optimization of Conditions for Studies of Protein Unfolding by Hydrogen Exchange/Mass Spectrometry, A.S. Raza and David L. Smith
Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I, Z.-B. Wu, Dennis J. Diestler, Ruqiang Feng, and Xiao Cheng Zeng
Hybrid atomistic-coarse-grained treatment of thin-film lubrication. II, Z.-B. Wu, Dennis J. Diestler, and Xiao Cheng Zeng
In situ magnetoresistance of Ni nanocontacts, C-S Yang, Chunjuan Zhang, Jody G. Redepenning, and Bernard Doudin
Evidence that hsp90 Is Involved in the Altered Interactions of Acanthamoeba castellanii Variants with Bacteria, Ling Yan, Ronald Cerny, and Jeffrey D. Cirillo
The melting lines of model silicon calculated from coexisting solid–liquid phases, S. Yoo, Xiao Cheng Zeng, and James R. Morris
Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12–Si20, X.-L. Zhu, Xiao Cheng Zeng, Y.A. Lei, and B. Pan
2003
Ab initio studies of quasi-one-dimensional pentagon and hexagon ice nanotubes, Jaeil Bai, C.-R. Su, R. D. Parra, Xiao Cheng Zeng, H. Tanaka, K. Koga, and J.-M. Li
Targeting Methanopterin Biosynthesis To Inhibit Methanogenesis, Razvan Dumitru, Hector Palencia, Scott D. Schroeder, Bree A. DeMontigny, James M. Takacs, Madeline E. Rasche, Jess L. Miner, and Stephen W. Ragsdale
Manufacturing of Novel Continuous Nanocrystalline Ceramic Nanofibers with Superior Mechanical Properties, Yuris A. Dzenis, Ruqiang Feng, Gustavo F. Larsen, Joseph Turner, and Xiao Cheng Zeng
Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions, Ruben D. Parra, Satya S. Bulusu, and Xiao Cheng Zeng
Oligothiophenes and Synthesis Thereof, Andrzej Rajca
Electrochemical preparation of chitosan/hydroxyapatite composite coatings on titanium substrates, Jody G. Redepenning, Guhanand Venkataraman, Jun Chen, and Nathan Stafford
Resonant tunneling in magnetoresistive Ni/NiO/Co nanowire junctions, Andrei Sokolov, Ildar F. Sabiryanov, Evgeny Y. Tsymbal, Bernard Doudin, Xingzhong Li, and Jody G. Redepenning
Bulk and interfacial properties of a dipolar-quadrupolar fluid in a uniform electric field: A density-functional approach, V.B. Warshavsky and Xiao Cheng Zeng
Effect of external electric field on the bulk and interfacial properties of weakly dipolar fluid in slab-shaped and sphere-shaped systems, V.B. Warshavsky and Xiao Cheng Zeng
Coarse-graining description of solid systems at nonzero temperature, Z.-B. Wu, Dennis J. Diestler, Ruqiang Feng, and Xiao Cheng Zeng
Effect of polarizability of halide anions on the ionic salvation in water clusters, S. Yoo, Y.A. Lei, and Xiao Cheng Zeng
Global geometry optimization of silicon clusters described by three empirical potentials, S. Yoo and Xiao Cheng Zeng
Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11, Xiaolei Zhu and Xiao Cheng Zeng
2002
Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory, T.V. Bykov and Xiao Cheng Zeng
A model for mechanochemical transformations: Applications to molecular hardness, instabilities, and shock initiation of reaction, Tadeusz Luty, Piotr Ordon, and Craig J. Eckhardt
Applications of NMR to structure-based drug design in structural genomics, Robert Powers
Bulk and interfacial properties of quadrupolar fluids, V.B. Warshavsky and Xiao Cheng Zeng
Effect of an Electric Field on the Surface Tension of a Dipolar-Quadrupolar Fluid and Its Implication for Sign Preference in Droplet Nucleation, V.B. Warshavsky and Xiao Cheng Zeng
Monte Carlo simulation of vapor–liquid binodal of water, S. Yoo and Xiao Cheng Zeng
2001
Quorum Sensing in the Dimorphic Fungus Candida albicans Is Mediated by Farnesol, Jacob M. Hornby, Ellen C. Jensen, Amber C. Lisec, Joseph J. Tasto, Brandon Jahnke, Richard Shoemaker, Patrick Dussault, and Kenneth W. Nickerson
Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model, K.T. Kholmurodov, K. Yasuoka, and Xiao Cheng Zeng
Nature of oxygen at rocksalt and spinel oxide surfaces, Marjorie Langell, J.G. Kim, D. L. Pugmire, and W. McCarroll
Preliminary X-ray diffraction studies of the transcriptional inhibitory antibody Fab41.4, Johanna Mazlo, Robyn L. Stanfield, Ian A. Wilson, Steven H. Hinrichs, and John J. Stezowski
Nucleation of Water and Methanol Droplets on Cations and Anions: The Sign Preference, K.J. Oh, G.T. Gao, and Xiao Cheng Zeng
Effect of carrier-gas pressure on barrier to nucleation: Monte Carlo simulation of water/nitrogen system, K.J. Oh and Xiao Cheng Zeng
Energetics and cooperativity in three-center hydrogen bonding interactions. I. Diacetamide-X dimers .X=HCN, CH3OH., Ruben D. Parra, Makoto Furukawa, Bing Gong, and Xiao Cheng Zeng
Energetics and cooperativity in three-center hydrogen bonding interactions. II. Intramolecular hydrogen bonding systems, Ruben D. Parra, Bing Gong, and Xiao Cheng Zeng
A Greek cross dodecaphenylene: sparteine-mediated asymmetric synthesis of chiral D2-symmetric π-conjugated tetra-o-phenylenes, Andrzej Rajca, Hua Wang, Pavel Bolshov, and Suchada Rajca
Effects of external electric field on the interfacial properties of weakly dipolar fluid, V.B. Warshavsky, T.V. Bykov, and Xiao Cheng Zeng
Monte Carlo simulation of homogeneous binary vapor–liquid nucleation: Mutual enhancement of nucleation in a partially miscible system, S. Yoo, K.J. Oh, and Xiao Cheng Zeng
Multiple Separations Facilitate Identification of Protein Variants by Mass Spectrometry, Zhongli Zhang, David L. Smith, and Jean B. Smith
2000
Structural Relatedness of Distinct Determinants Recognized by Monoclonal Antibody TP25.99 on ß2-Microglobulin-Associated and ß2-Microglobulin-Free HLA Class I Heavy Chains, Smruti A. Desai, Xinhui Wang, Elvyra J. Noronha, Qinwei Zhou, Vera Rebmann, Hans Grosse-Wilde, Franklin J. Moy, Robert Powers, and Soldano Ferrone
HEAVILY FLUORINATED SUGAR ANALOGS, Stephen G. Dimagno
OCTAFLUORO-MESO TETRAARYLPORPHYRINS AND METHODS FOR MAKING THESE COMPOUNDS, Stephen G. DiMagno
Freezing transition of a strongly dipolar simple fluid, G.T. Gao and Xiao Cheng Zeng
Nonlinear effects of physisorption on static friction, G.T. Gao, Xiao Cheng Zeng, and Dennis J. Diestler
The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water, G.T. Gao, Xiao Cheng Zeng, and Hideki Tanaka
Ice nanotube: What does the unit cell look like?, Kenichiro Koga, Ruben D. Parra, Hideki Tanaka, and Xiao Cheng Zeng
A small-system ensemble Monte Carlo simulation of supersaturated vapor: Evaluation of barrier to nucleation, K.J. Oh and Xiao Cheng Zeng
Quantitative measurement of guest–host interactions in supramolecular systems: A comparative Brillouin scattering study of the Dianin’s compound clathrand and two of its isostructural clathrates, C.A. Sandstedt, D. Michalski, and Craig J. Eckhardt
Femtosecond luminescence dynamics in a nonlinear optical organic dendrimer, O. Varnavski, A. Leanov, L. Liu, James M. Takacs, and T. Goodson III
Molecular dynamics simulation of supersaturated vapor nucleation in slit pore, K. Yasuoka, G.T. Gao, and Xiao Cheng Zeng
1999
A patching model for surface tension and the Tolman length, T.V. Bykov and Xiao Cheng Zeng
A patching model for surface tension of spherical droplet and Tolman length. II, T.V. Bykov and Xiao Cheng Zeng
Effect of uniform electric field on homogeneous vapor–liquid nucleation and phase equilibria. II. Extended simple point charge model water, G.T. Gao, K.J. Oh, and Xiao Cheng Zeng
Imaging point defects in a liquid environment: A model AFM study, Kenichiro Koga and Xiao Cheng Zeng
Thermodynamic expansion of nucleation free-energy barrier and size of critical nucleus near the vapor-liquid coexistence, Kenichiro Koga and Xiao Cheng Zeng
Valence-band electronic structure of Co3O4 epitaxy on CoO(100), Marjorie Langell, M.D. Anderson, G.A. Carson, L. Peng, and S. Smith
Two-dimensional nuclear magnetic resonance correlation spectroscopy at zero field, Ming-Yuan Liao and Gerard S. Harbison
Langmuir monolayers as disordered solids: Disorder and elastic fluctuations in mesophases , Tadeusz Luty, Craig J. Eckhardt, and Jacques Lefebvre
Langmuir monolayers as disordered solids: Strain-tilt-backbone coupling and natural order parameters for the swiveling transitions, Tadeusz Luty, David R. Swanson, and Craig J. Eckhardt
Formation free energy of clusters in vapor-liquid nucleation: A Monte Carlo simulation study, K.J. Oh and Xiao Cheng Zeng
Hydrogen bonding and cooperative effects in mixed dimers and trimers of methanol and trifluoromethanol: An ab initio study, Ruben D. Parra and Xiao Cheng Zeng
Nickelocene adsorption on single-crystal surfaces, D. L. Pugmire, C. M. Woodbridge, S. Root, and Marjorie Langell
METHOD OF STORING ACTIVE ZERO VALENT ZINC METAL, Reuben D. Rieke
Confined water in hydrophobic nanopores: Dynamics of freezing into bilayer ice, Jan Slovak, Kenichiro Koga, Hideki Tanaka, and Xiao Cheng Zeng
Molecular dynamics study of a phase-separating fluid mixture under shear flow, Ryoichi Yamamoto and Xiao Cheng Zeng
1998
METHOD FOR THE SYNTHESIS OF α-OXRANYL AMINO ACIDS, David B. Berkowitz and Michelle L. Pedersen
Metathesis-based synthesis of jasmonate and homojasmonate lactones, candidates for extracellular quorum sensing molecules in Candida albicans, Su C. Cho, Patrick Dussault, Amber D. Lisec, Ellen C. Jensen, and Kenneth W. Nickerson
D/H Exchange in Nitro Diastereomers, Charles A. Kingsbury
Validity of Tolman’s equation: How large should a droplet be?, Kenichiro Koga, Xiao Cheng Zeng, and A.K. Shchekin
The effect of a uniform electric field on homogeneous vapor–liquid nucleation in a dipolar fluid. I. Stockmayer fluid, K.J. Oh, G.T. Gao, and Xiao Cheng Zeng
Contribution of the center-of-mass fluctuation of a liquid cluster to the free energy: A Monte Carlo simulation study, K.J. Oh and Xiao Cheng Zeng
CROSS-COUPLING OF ORGANIC COMPOUNDS USING CUPROUS ODIDE, Reuben D. Rieke
SUBSTITUTED POLYTHIOPHENES FROM HIGHLY REACTIVE ZINC REAGENTS, Reuben D. Rieke
PYRROLIC COMPOUNDS, Michael J. Therien and Stephen DiMagno
Single crystal Raman spectra of 1,2,4,5-tetrabromobenzene: Calculational and experimental assignment of the internal modes, K.M. White and Craig J. Eckhardt
1997
Thermal decomposition reactions of acetaldehyde and acetone on Si(100), J.L. Armstrong, J.M. White, and Marjorie Langell
Coordinate Regulation of G- and C Strand Length during New Telomere Synthesis, Xinqing Fan and Carolyn Mary Price
Vapor–liquid coexistence of quasi-two-dimensional Stockmayer fluids, G.T. Gao, Xiao Cheng Zeng, and Wenchuan Wang
Monte Carlo simulation of the solid to superliquid phase transition of Langmuir monolayers. II. Characteristics of phase transition, M.D. Gibson, D.R. Swanson, Craig J. Eckhardt, and Xiao Cheng Zeng