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	Biomimetic Fluorapatite-Gelatine Nanocomposites: Pre-Structuring of Gelatine Matrices by Ion Impregnation and Its Effect on Form Development13 [My Copy] Angewandte Chemie International Edition, Vol. 45, No. 12. (2006), pp. 1905-1910. by Harald Tlatlik, Paul Simon, Agnieszka Kawska, Dirk Zahn, Rüdiger Kniep posted to paper1 nucleation growth biomolecule apatite by rdf on 2009-11-19 12:09:44 as
	The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins13 [My Copy] Angewandte Chemie International Edition, Vol. 47, No. 27. (2008), pp. 4982-4985. by Agnieszka Kawska, Oliver Hochrein, Jürgen Brickmann, Rüdiger Kniep, Dirk Zahn posted to paper1 nucleation growth biomolecule apatite by rdf on 2009-11-19 12:06:59 as along with 1 person paddydu
	Atomistic Mechanisms of ZnO Aggregation from Ethanolic Solution: Ion Association, Proton Transfer, and Self-Organization [My Copy] Nano Letters, Vol. 8, No. 8. (1 August 2008), pp. 2336-2340. by Agnieszka Kawska, Patrick Duchstein, Oliver Hochrein, Dirk Zahn posted to paper1 nucleation growth crystal by rdf on 2009-11-19 12:04:35 as along with 1 person paddydu
	An atomistic simulation scheme for modeling crystal formation from solution [My Copy] The Journal of Chemical Physics, Vol. 124, No. 2. (2006), 024513. by Agnieszka Kawska, Jürgen Brickmann, Rüdiger Kniep, Oliver Hochrein, Dirk Zahn posted to paper1 nucleation growth crystal by rdf on 2009-11-19 12:02:35 as along with 2 people paddydu maaren
	Atomistic Mechanism of NaCl Nucleation from an Aqueous Solution [My Copy] Physical Review Letters, Vol. 92, No. 4. (Jan 2004), 040801. by Dirk Zahn posted to transition-path-sampling paper1 nucleation by rdf on 2009-11-19 11:57:14 as along with 1 person loison
	On the Atomistic Mechanisms of Alkane (Methane−Pentane) Separation by Distillation: A Molecular Dynamics Study [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 43. (1 November 2007), pp. 12518-12523. by Dirk Zahn posted to transition-path-sampling paper1 by rdf on 2009-11-19 11:54:27 as
	Interplay between Structure and Size in a Critical Crystal Nucleus [My Copy] Physical Review Letters, Vol. 94, No. 23. (Jun 2005), 235703. by Daniele Moroni, Pieter R. ten Wolde, Peter G. Bolhuis posted to paper1 nucleation by rdf on 2009-11-19 11:49:34 as
	Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling [My Copy] The Journal of Chemical Physics, Vol. 104, No. 24. (1996), pp. 9932-9947. by Pieter R. ten Wolde, Maria J. Ruiz-Montero, Daan Frenkel posted to paper1 nucleation by rdf on 2009-11-19 11:45:17 as along with 2 people dchen weeks
	Homogeneous nucleation and the Ostwald step rule [My Copy] Phys. Chem. Chem. Phys., Vol. 1, No. 9. (1999), pp. 2191-2196. by Pieter R. ten Wolde, Daan Frenkel posted to paper1 nucleation by rdf on 2009-11-19 11:41:55 as
	Prediction of absolute crystal-nucleation rate in hard-sphere colloids [My Copy] Nature, Vol. 409, No. 6823. (22 February 2001), pp. 1020-1023. by Stefan Auer, Daan Frenkel posted to paper1 nucleation by rdf on 2009-11-19 10:37:22 as along with 3 people peteryunker alexphys weeks
	Searching for low-energy structures of nanoparticles: a comparison of different methods and algorithms [My Copy] Journal of Physics: Condensed Matter, Vol. 21, No. 8. (2009), 084208. by G. Rossi, R. Ferrando posted to paper1 global_optimization by rdf on 2009-11-19 10:34:14 as along with 1 person lassebv
	Slightly Viscous Amino Acid Ionic Liquids: Synthesis, Properties, and Calculations [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Ling He, Guo-Hong Tao, Damon A. Parrish, Jean’ne M. Shreeve posted to paper1 ionic_liquids glycine dmg by whitead to the group Jiang Research Group on 2009-10-28 17:03:45 as
	An approach to computing electrostatic charges for molecules [My Copy] Journal of Computational Chemistry, Vol. 5, No. 2. (1984), pp. 129-145. by U. Chandra Singh, Peter A. Kollman posted to partial_charges paper1 atomic_charges by whitead to the group Jiang Research Group on 2009-10-19 05:25:50 as along with 4 people pavanghatty tovrstra dfgreen kimikazu
	Quantum Mechanical Continuum Solvation Models [My Copy] Chemical Reviews, Vol. 105, No. 8. (1 August 2005), pp. 2999-3094. by Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi posted to quantum_solvation paper1 gaussian by whitead to the group Jiang Research Group on 2009-10-19 05:24:56 as along with 2 people flbarroso ucbcjbm
	VMD: Visual molecular dynamics [My Copy] Journal of Molecular Graphics, Vol. 14, No. 1. (February 1996), pp. 33-38. by W. Humphrey posted to vmd paper1 by whitead to the group Jiang Research Group on 2009-10-18 19:06:01 as along with 6 people csrocha r2s2 pavanghatty choonpeng RamuAnandakrishnan tji
	P<FONT SIZE='-2'>ACKMOL</FONT>: A package for building initial configurations for molecular dynamics simulations [My Copy] Journal of Computational Chemistry, Vol. 30, No. 13. (2009), pp. 2157-2164. by L. Martínez, R. Andrade, E. G. Birgin, J. M. Martínez posted to paper1 packmol molecular_dynamics by whitead to the group Jiang Research Group on 2009-10-18 19:01:35 as along with 2 people klexa middledomain
	Fast Parallel Algorithms for Short-Range Molecular Dynamics [My Copy] Journal of Computational Physics, Vol. 117, No. 1. (1 March 1995), pp. 1-19. by S. Plimpton posted to prelim paper1 molecular_dynamics lammps by whitead on 2009-10-18 19:00:03 as along with 4 people and 1 group cjryan ashaytan3 gferencz jheco Jiang Research Group
	Solvent Composition and Viscosity Effects on the Kinetics of CO Binding to Horse Myoglobin† [My Copy] Biochemistry, Vol. 37, No. 2. (1 January 1998), pp. 717-733. by Thomas Kleinert, Wolfgang Doster, Harald Leyser, Winfried Petry, Veronika Schwarz, Marcus Settles posted to paper1 kinetics enzyme by whitead to the group Jiang Research Group on 2009-10-18 18:48:01 as
	Free Energy Landscapes of Encounter Complexes in Protein-Protein Association [My Copy] Biophysical Journal, Vol. 76, No. 3. (March 1999), pp. 1166-1178. by C. Camacho posted to protein-protein paper1 hydration by whitead to the group Jiang Research Group on 2009-10-18 18:43:38 as along with 4 people flbarroso ras bicko dgront
	Thermoprotection by glycine betaine and choline [My Copy] Microbiology, Vol. 145, No. 9. (1 September 1999), pp. 2543-2548. by Teresa Caldas, Nathalie Demont-Caulet, Alexandre Ghazi, Gilbert Richarme posted to protein_aggregation paper1 glycine_betaine by whitead to the group Jiang Research Group on 2009-10-18 18:34:16 as
	Ultralow Fouling and Functionalizable Surface Chemistry Based on a Zwitterionic Polymer Enabling Sensitive and Specific Protein Detection in Undiluted Blood Plasma [My Copy] Analytical Chemistry, Vol. 80, No. 20. (15 October 2008), pp. 7894-7901. by Hana Vaisocherová, Wei Yang, Zheng Zhang, et al.Zhiqiang Cao, Gang Cheng, Marek Piliarik, Jiří Homola, Shaoyi Jiang posted to zwitterion paper1 nonfouling by whitead on 2009-10-18 18:18:18 as along with 1 group Jiang Research Group
	Strong Repulsive Forces between Protein and Oligo (Ethylene Glycol) Self-Assembled Monolayers: A Molecular Simulation Study [My Copy] Biophysical Journal, Vol. 89, No. 1. (July 2005), pp. 158-166. by J. Zheng posted to paper1 nonfouling molecular_dynamics by whitead on 2009-10-18 18:16:29 as along with 1 group Jiang Research Group
	Protein Adsorption on Oligo(ethylene glycol)-Terminated Alkanethiolate Self-Assembled Monolayers: The Molecular Basis for Nonfouling Behavior [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 7. (1 February 2005), pp. 2934-2941. by Lingyan Li, Shengfu Chen, Jie Zheng, Buddy D. Ratner, Shaoyi Jiang posted to peg paper1 nonnfouling by whitead on 2009-10-18 18:12:30 as along with 1 person and 1 group sjanusz Jiang Research Group
	Functionalizable surface platform with reduced nonspecific protein adsorption from full blood plasma—Material selection and protein immobilization optimization [My Copy] Biosensors and Bioelectronics, Vol. 24, No. 7. (15 March 2009), pp. 1924-1930. by Hana Vaisocherová, Zheng Zhang, Wei Yang, et al.Zhiqiang Cao, Gang Cheng, Allen D. Taylor, Marek Piliarik, Jiří Homola, Shaoyi Jiang posted to paper1 nonfouling jgroup by whitead on 2009-10-18 17:54:26 as along with 1 group Jiang Research Group
	Hydration of “Nonfouling” Functional Groups [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 1. (8 January 2009), pp. 197-201. by Jason C. Hower, Matthew T. Bernards, Shengfu Chen, Heng-Kwong Tsao, Yu-Jane Sheng, Shaoyi Jiang posted to paper1 molecular_dynamics hydration by whitead on 2009-10-18 17:45:10 as along with 1 group Jiang Research Group
	Interactions of the Osmolyte Glycine Betaine with Molecular Surfaces in Water: Thermodynamics, Structural Interpretation, and Prediction of m-Values [My Copy] Biochemistry, Vol. 48, No. 43. (3 November 2009), pp. 10372-10379. by Michael W. Capp, Laurel M. Pegram, Ruth M. Saecker, et al.Megan Kratz, Demian Riccardi, Timothy Wendorff, Jonathan G. Cannon, M. Thomas Record posted to water paper1 hydration glycine_betaine by whitead on 2009-10-09 23:54:48 as along with 1 person and 1 group qshao Jiang Research Group
	Hydration Water Dynamics Near Biological Interfaces† [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 13. (2 April 2009), pp. 4082-4092. by Margaret E. Johnson, Cecile Malardier-Jugroot, Rajesh K. Murarka, Teresa Head-Gordon posted to polarizable_molecular_dynamics paper1 molecular_dynamics hydration by whitead to the group Jiang Research Group on 2009-10-01 21:11:09 as along with 5 people and 1 group willard flbarroso Lombardo_7 kvilonen sobolevnrm baker-group
	Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions† [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 13. (2 April 2009), pp. 4141-4146. by Collin D. Wick, Sotiris S. Xantheas posted to paper1 molecular_dynamics ion_hydration hydration by whitead to the group Jiang Research Group on 2009-10-01 21:10:48 as along with 1 person flbarroso
	Solvation Dynamics of Model Peptides Probed by Terahertz Spectroscopy. Observation of the Onset of Collective Network Motions [My Copy] Journal of the American Chemical Society, Vol. 131, No. 10. (18 March 2009), pp. 3752-3755. by Benjamin Born, Hermann Weingärtner, Erik Bründermann, Martina Havenith posted to peptide_solvation paper1 hydration by whitead to the group Jiang Research Group on 2009-10-01 18:34:56 as along with 1 person kafuitay
	Probability Distributions of Hydration Water Molecules around Polar Protein Atoms Obtained by a Database Analysis [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 32. (13 August 2009), pp. 11274-11292. by Daisuke Matsuoka, Masayoshi Nakasako posted to water_slaving protein pdb paper1 hydration by whitead on 2009-10-01 18:13:12 as along with 1 group Jiang Research Group
	Zwitterionic SAMs that Resist Nonspecific Adsorption of Protein from Aqueous Buffer [My Copy] Langmuir, Vol. 17, No. 9. (1 May 2001), pp. 2841-2850. by R. Erik Holmlin, Xiaoxi Chen, Robert G. Chapman, Shuichi Takayama, George M. Whitesides posted to spr sam paper1 nonfouling by whitead to the group Jiang Research Group on 2009-09-30 20:48:08 as
	Glycine betaine accumulation and induction of cold tolerance in strawberry (Fragaria X ananassa Duch.) plants [My Copy] Plant Science, Vol. 148, No. 2. (29 October 1999), pp. 175-183. by C. Rajashekar posted to paper1 glycine_betain applications by whitead to the group Jiang Research Group on 2009-09-30 18:44:14 as
	Osmoprotectants and cryoprotectants for Listeria monocytogenes [My Copy] Letters in Applied Microbiology, Vol. 30, No. 1. (2000), pp. 23-27. by D. O. Bayles, B. J. Wilkinson posted to tmg paper1 glycine_betain applications by whitead to the group Jiang Research Group on 2009-09-30 18:41:57 as along with 1 person qshao
	Growth of Lactococcus lactis strains at low water activity: correlation with the ability to accumulate glycine betaine [My Copy] International Journal of Food Microbiology, Vol. 55, No. 1-3. (10 April 2000), pp. 127-131. by J. O'Callaghan posted to tmg paper1 glycine_betaine applications by whitead to the group Jiang Research Group on 2009-09-30 18:39:38 as
	On the Stability of Amino Acid Zwitterions in the Gas Phase: The Influence of Derivatization, Proton Affinity, and Alkali Ion Addition [My Copy] Journal of the American Chemical Society, Vol. 122, No. 14. (1 April 2000), pp. 3458-3464. by Thomas Wyttenbach, Matthias Witt, Michael T. Bowers posted to zwitterions paper1 dmg by whitead to the group Jiang Research Group on 2009-09-30 18:33:06 as
	Water and Alanine: From Puddles(32) to Ponds(49) [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 43. (29 October 2009), pp. 14413-14420. by Jonathan M. Mullin, Mark S. Gordon posted to solvation_energy qm paper1 by whitead to the group Jiang Research Group on 2009-09-30 02:35:47 as along with 2 people carlosjavierna qshao
	Structural properties of water: Comparison of the SPC, SPCE, TIP4P, and TIP5P models of water [My Copy] The Journal of Chemical Physics, Vol. 123, No. 10. (2005), 104501. by Jan Zielkiewicz posted to water_struicture water tip4p spc paper1 by whitead to the group Jiang Research Group on 2009-09-24 20:13:28 as
	Angular geometries and other properties of hydrogen-bonded dimers: a simple electrostatic interpretation of the success of the electron-pair model [My Copy] Chem. Soc. Rev., Vol. 16 (1987), pp. 467-498. by A. C. Legon, D. J. Millen posted to paper1 hydrogen_bond definition by whitead to the group Jiang Research Group on 2009-09-24 20:10:17 as
	Transport properties of water at functionalized molecular interfaces [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 125102. by Jun Feng, Ka Y. Wong, Kippi Dyer, B. Montgomery Pettitt posted to water transport paper1 diffusion by whitead to the group Jiang Research Group on 2009-09-24 16:57:41 as along with 1 person dlimmer
	Molecular Simulation of the Nucleation and Growth of Gold Nanoparticles [My Copy] The Journal of Physical Chemistry C, Vol. 113, No. 9. (5 March 2009), pp. 3607-3611. by Caroline Desgranges, Jerome Delhommelle posted to supercooled_liquid simulation paper1 monte-carlo gold by rdf on 2009-09-22 10:57:28 as
	Molecular simulation of the crystallization of aluminum from the supercooled liquid [My Copy] The Journal of Chemical Physics, Vol. 127, No. 14. (2007), 144509. by Caroline Desgranges, Jerome Delhommelle posted to supercooled_liquid simulation paper1 growth aluminum by rdf on 2009-09-22 10:55:40 as
	How hydrophobic hydration responds to solute size and attractions: Theory and simulations [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 115102. by Manoj V. Athawale, Sumanth N. Jamadagni, Shekhar Garde posted to paper1 hydration_metric hydration by whitead on 2009-09-18 09:04:45 as along with 1 person and 1 group dlimmer Jiang Research Group
	Dependence of the l-Alanyl-l-Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra [My Copy] The Journal of Physical Chemistry B, Vol. 112, No. 6. (1 February 2008), pp. 1796-1805. by Vladimir Sychrovsky, Milos Budesinsky, Ladislav Benda, et al.Vladimir Spirko, Zuzana Vokačova, Jaroslav Sebestik, Petr Bour posted to structure paper1 nmr by whitead to the group Jiang Research Group on 2009-09-12 22:32:45 as
	Theoretical study of solvent effect on intramolecular proton transfer of glycine [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 531, No. 1-3. (23 October 2000), pp. 267-282. by E. Kassab posted to proton_transfer paper1 glycine by whitead to the group Jiang Research Group on 2009-09-09 23:26:19 as
	Amino acid chemistry in dipolar aprotic solvents: dissociation constants and ambident reactivity [My Copy] The Journal of Organic Chemistry, Vol. 51, No. 13. (1 June 1986), pp. 2579-2585. by David L. Hughes, James J. Bergan, Edward J. J. Grabowski posted to solvation paper1 hydration amino_acid_chemistry by whitead to the group Jiang Research Group on 2009-09-09 23:20:55 as
	14N NMR relaxation times of several protein amino acids in aqueous solution—comparison with 17O NMR data and estimation of the relative hydration numbers in the cationic and zwitterionic forms [My Copy] Journal of Magnetic Resonance, Vol. 164, No. 2. (October 2003), pp. 294-303. by A. Troganis posted to water structure paper1 nmr hydration by whitead to the group Jiang Research Group on 2009-09-09 23:06:53 as
	Effects of solvents on the tautomerization of <I>N,N-</I>dimethylglycine [My Copy] Journal of Physical Organic Chemistry, Vol. 10, No. 12. (1997), pp. 898-900. by Allan D. Headley, Rita E. Corona, Eric T. Cheung posted to solvation paper1 hydration dmg by whitead to the group Jiang Research Group on 2009-09-09 23:06:17 as
	Low-temperature solid-state FTIR study of glycine, sarcosine and N,N-dimethylglycine: observation of neutral forms of simple [small alpha]-amino acids in the solid state [My Copy] Phys. Chem. Chem. Phys., Vol. 5, No. 15. (2003), pp. 3154-3161. by A. Gomez-Zavaglia, R. Fausto posted to solid_state paper1 glycine ftir by whitead to the group Jiang Research Group on 2009-09-09 23:00:59 as
	Anomalous Dynamics of Hydration Water in Carbohydrate Solutions [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 39. (1 October 2009), pp. 12999-13006. by Matías H. H. Pomata, Milton T. Sonoda, Munir S. Skaf, M. Dolores Elola posted to water structure paper1 molecular hydration dynamics by whitead to the group Jiang Research Group on 2009-09-09 17:56:04 as along with 1 person qshao
	High-kappa gate dielectrics: Current status and materials properties considerations [My Copy] Journal of Applied Physics, Vol. 89, No. 10. (2001), pp. 5243-5275. by G. D. Wilk, R. M. Wallace, J. M. Anthony posted to paper1 by ryde on 2009-08-25 08:07:05 as along with 3 people dankamongmen mrsmond eyliu

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molecular	13
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molecular_dynamics	9
nucleation	9
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glycine	8
indexerconsistency	7
paper2b	7
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