paddydu's library 74 articles Export

	Predicting the Effect of a Point Mutation on a Protein Fold: The Villin and Advillin Headpieces and Their Pro62Ala Mutants [My Copy] Journal of Molecular Biology, Vol. 375, No. 2. (11 January 2008), pp. 460-470. by Stefano Piana, Alessandro Laio, Fabrizio Marinelli, et al.Marleen Van Troys, David Bourry, Christophe Ampe, José C. Martins posted to protein folding by paddydu on 2009-09-29 17:29:54 as along with 2 people and 1 group A_Coletta_Thesis paulschlesinger Structural Biology Group TorVergata
	A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations [My Copy] PLoS Comput Biol, Vol. 5, No. 8. (7 August 2009), e1000452. by Fabrizio Marinelli, Fabio Pietrucci, Alessandro Laio, Stefano Piana posted to protein folding by paddydu on 2009-09-29 17:26:52 as along with 2 people Diego_Prada fabiopietrucci
	Scoring Functions for De Novo Protein Structure Prediction Revisited [My Copy] Protein Structure Prediction (2008), pp. 243-281. by Shing-Chung Ngan, Ling-Hong Hung, Tianyun Liu, Ram Samudrala posted to scoring protein function folding by paddydu on 2009-09-17 13:51:40 as
	BaTiO3 nanocrystals: Hydrothermal synthesis and structural characterization [My Copy] Journal of Crystal Growth, Vol. 283, No. 3-4. (01 October 2005), pp. 553-562. by X. Zhu, J. Zhu, S. Zhou, Z. Liu, N. Ming, D. Hesse posted to titanate surface nanocrystal batio3 barium by paddydu on 2009-09-17 13:45:39 as
	Progress in Modeling of Protein Structures and Interactions [My Copy] Science, Vol. 310, No. 5748. (28 October 2005), pp. 638-642. by Ora Schueler-Furman, Chu Wang, Phil Bradley, Kira Misura, David Baker posted to protein folding by paddydu on 2009-09-16 14:28:47 as along with 18 people and 3 groups krapnik rabio ucbcjbm flbarroso thaliana jwm vavi bicko KyuhoLee marcius eweaver tny nickolay dgront rsantana mirzazadeh insectopalo barry BioinfoCIPF SGU-CIPF structural_bioinformatics
	Toward High-Resolution de Novo Structure Prediction for Small Proteins [My Copy] Science, Vol. 309, No. 5742. (16 September 2005), pp. 1868-1871. by Philip Bradley, Kira M. S. Misura, David Baker posted to protein forcefield folding by paddydu on 2009-09-16 14:26:34 as along with 11 people and 4 groups ucbcjbm kgutwin BragilMassoud ana barry thaliana jwm vavi marcius gbart thamelry structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF
	Atomistic modelling of BaTiO3 based on first-principles calculations [My Copy] Journal of Physics: Condensed Matter, Vol. 11, No. 48. (1999), pp. 9679-9690. by S. Tinte, M. G. Stachiotti, M. Sepliarsky, R. L. Migoni, C. O. Rodriguez posted to titanate simulation forcefield batio3 barium by paddydu on 2009-09-15 17:35:45 as
	Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and bayesian scoring functions [My Copy] Journal of Molecular Biology, Vol. 268, No. 1. (25 April 1997), pp. 209-225. by K. Simons posted to scoring protein function folding bayesian by paddydu on 2009-09-14 16:34:00 as along with 12 people and 2 groups chemrahul82 Diego_Prada reyez guxiyou ana jwm vavi wouterboomsma j3xucite hmk mijam joule structural_bioinformatics Bioinformatics
	Scoring functions in protein folding and design [My Copy] Protein Science, Vol. 9, No. 4. (April 2000), pp. 812-819. by Ruxandra I. Dima, Jayanth R. Banavar, Amos Maritan posted to scoring protein function folding by paddydu on 2009-09-11 16:16:21 as along with 1 person yylin
	Improved recognition of native-like protein structures using a combination of sequence-dependent and sequence-independent features of proteins [My Copy] Proteins: Structure, Function, and Genetics, Vol. 34, No. 1. (1999), pp. 82-95. by Kim T. Simons, Ingo Ruczinski, Charles Kooperberg, Brian A. Fox, Chris Bystroff, David Baker posted to scoring protein function folding by paddydu on 2009-09-11 16:14:16 as along with 2 people bpb hmk
	Calculating excess chemical potentials using dynamic simulations in the fourth dimension [My Copy] The Journal of Chemical Physics, Vol. 111, No. 8. (1999), pp. 3387-3395. by Régis Pomès, Elan Eisenmesser, Carol B. Post, Benoît Roux posted to free-energy pmf by paddydu on 2009-07-21 14:04:48 as
	Efficient estimation of free energy differences from Monte Carlo data [My Copy] Journal of Computational Physics, Vol. 22, No. 2. (October 1976), pp. 245-268. by C. Bennett posted to free-energy monte-carlo by paddydu on 2009-07-21 13:58:28 as along with 1 person ashaytan
	Computing conformational free energy by deactivated morphing [My Copy] The Journal of Chemical Physics, Vol. 129, No. 13. (2008), 134102. by Sanghyun Park, Albert Y. Lau, Benoît Roux posted to folding free-energy protein restraint by paddydu on 2009-07-20 15:48:02 as along with 3 people and 1 group sobolevnrm agrossfield sunhwan baker-group
	Collagen type I of rat cortical and trabecular bone differs in the extent of posttranslational modifications [My Copy] Calcified Tissue International, Vol. 58, No. 1. (1 January 1996), pp. 65-69. by K. Suarez, M. Romanello, P. Bettica, L. Moro posted to collagen glycosylation pyridinolin by paddydu on 2009-07-16 17:38:57 as
	Posttranslational Modifications of Bone Collagen Type I are Related to the Function of Rat Femoral Regions [My Copy] Calcified Tissue International, Vol. 66, No. 2. (24 February 2000), pp. 151-156. by L. Moro, M. Romanello, A. Favia, M. P. Lamanna, E. Lozupone posted to collagen glycosylation pyridinolin by paddydu on 2009-07-16 17:11:00 as
	Electronic and crystallographic structure of apatites [My Copy] Physical Review B, Vol. 67, No. 13. (Apr 2003), 134106. by L. Calderín, M. J. Stott, A. Rubio posted to apatite basis-set by paddydu on 2009-07-14 18:15:20 as
	Fish otolith contains a unique structural protein, otolin-1 [My Copy] European Journal of Biochemistry, Vol. 269, No. 2. (2002), pp. 688-696. by Emi Murayama, Yasuaki Takagi, Tsuyoshi Ohira, James G. Davis, Mark I. Greene, Hiromichi Nagasawa posted to aragonite calcium carbonate otolin otolith by paddydu on 2009-07-08 17:07:34 as
	Deformation behavior of polyacrylic acid-metal oxide composites in water [My Copy] Materials Letters, Vol. 16, No. 4. (April 1993), pp. 200-205. by H. Hu, J. Saniger, V. Castano posted to nanocrystal oxide paa stress water zinc zno by paddydu on 2009-07-07 15:38:19 as
	Potential energy function for apatites [My Copy] Phys. Chem. Chem. Phys., Vol. 5, No. 3. (2003), pp. 635-639. by Sven Hauptmann, Hagen Dufner, Jurgen Brickmann, Stefan M. Kast, R. Stephen Berry posted to apatite forcefield by paddydu on 2009-07-07 14:21:56 as
	First Principles Investigation of Mineral Component of Bone: CO3 Substitutions in Hydroxyapatite [My Copy] Chemistry of Materials, Vol. 17, No. 16. (1 August 2005), pp. 4125-4133. by R. Astala, M. J. Stott posted to apatite bone calcium carbonate defect phosphate substitution by paddydu on 2009-07-01 17:18:56 as
	Human lysyl hydroxylase isoforms [My Copy] (September 2002) by Chunguang Wang posted to collagen glycoprotein glycosylation by paddydu on 2009-06-29 10:33:14 as
	Conformational preferences of substituted prolines in the collagen triple helix [My Copy] Biopolymers, Vol. 64, No. 2. (2002), pp. 63-71. by Sean D. Mooney, Peter A. Kollman, Teri E. Klein posted to amber forcefield by paddydu on 2009-06-26 13:30:48 as
	A new set of molecular mechanics parameters for hydroxyproline and its use in molecular dynamics simulations of collagen-like peptides [My Copy] Journal of Computational Chemistry, Vol. 26, No. 15. (2005), pp. 1612-1616. by Sanghyun Park, Randall J. Radmer, Teri E. Klein, Vijay S. Pande posted to amber forcefield by paddydu on 2009-06-26 10:37:44 as
	Mechanisms of maturation and ageing of collagen [My Copy] Mechanisms of Ageing and Development, Vol. 106, No. 1-2. (1 December 1998), pp. 1-56. by A. Bailey posted to collagen by paddydu on 2009-06-17 17:23:01 as
	Cross-linking in collagen and elastin. [My Copy] Annu Rev Biochem, Vol. 53 (1984), pp. 717-748. by D. R. Eyre, M. A. Paz, P. M. Gallop posted to collagen by paddydu on 2009-06-17 16:49:25 as along with 1 person varunb007
	Polysaccharides and Proteoglycans in Calcium Carbonate-based Biomineralization [My Copy] Chemical Reviews, Vol. 108, No. 11. (12 November 2008), pp. 4475-4482. by José L. Arias, María S. Fernández posted to calcite calcium carbonate collagen nucleation proteoglycan by paddydu on 2009-06-04 16:03:48 as
	Primary structure of the helical domain of porcine collagen X [My Copy] Matrix Biology, Vol. 18, No. 2. (1 April 1999), pp. 149-153. by K. Bos posted to collagen glycoprotein glycosylation by paddydu on 2009-05-28 14:30:33 as
	Core Glycosylation of Collagen Is Initiated by Two beta(1-O)Galactosyltransferases [My Copy] Mol. Cell. Biol., Vol. 29, No. 4. (15 February 2009), pp. 943-952. by Belinda Schegg, Andreas J. Hulsmeier, Christoph Rutschmann, Charlotte Maag, Thierry Hennet posted to collagen glycoprotein glycosylation by paddydu on 2009-05-28 11:30:56 as
	The Otoconia of the Guinea Pig Utricle: Internal Structure, Surface Exposure, and Interactions with the Filament Matrix [My Copy] Journal of Structural Biology, Vol. 131, No. 1. (July 2000), pp. 67-78. by U. Lins posted to calcite oc90 otoconia otoconin by paddydu on 2009-05-11 18:48:09 as
	Molecular Dynamics Study of the Solvation of Calcium Carbonate in Water [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 42. (1 October 2007), pp. 12219-12227. by Fabien Bruneval, Davide Donadio, Michele Parrinello posted to aragonite calcite calcium carbonate forcefield solvation water by paddydu on 2009-04-27 19:07:21 as along with 1 person pimpim
	Kinetic pathways of beta-hairpin (un)folding in explicit solvent. [My Copy] Biophys J, Vol. 88, No. 1. (January 2005), pp. 50-61. by P. G. Bolhuis posted to beta-hairpin folding protein transition-path-sampling by paddydu on 2009-04-27 17:26:33 as along with 2 people Diego_Prada ruvido
	The free energy landscape for beta hairpin folding in explicit water. [My Copy] Proc Natl Acad Sci U S A, Vol. 98, No. 26. (18 December 2001), pp. 14931-14936. by R. Zhou, B. J. Berne, R. Germain posted to beta-hairpin energy folding h-bond landscape opls by paddydu on 2009-04-16 17:44:22 as along with 2 people scampos allmensch
	Polystyrene−ZnO Composite Particles with Controlled Morphology [My Copy] Chemistry of Materials, Vol. 19, No. 7. (1 April 2007), pp. 1845-1852. by Mukesh Agrawal, Andrij Pich, Nick E. Zafeiropoulos, et al.Smrati Gupta, Juergen Pionteck, Frank Simon, Manfred Stamm posted to composite zno by paddydu on 2009-03-31 14:37:58 as
	Comparison of simple potential functions for simulating liquid water [My Copy] The Journal of Chemical Physics, Vol. 79, No. 2. (1983), pp. 926-935. by William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey, Michael L. Klein posted to model water by paddydu on 2009-03-25 17:06:56 as along with 17 people and 1 group jmparks fralium bmduggan kulinskii ibuch Lombardo_7 dfgreen softsimu mleis ttjoseph ffranca easybakemuffin ashaytan RamuAnandakrishnan r2s2 pavanghatty Diego_Prada CMB
	A one-dimensional ice structure built from pentagons [My Copy] Vol. advanced online publication (8 March 2009) by Javier Carrasco, Angelos Michaelides, Matthew Forster, Sam Haq, Rasmita Raval, Andrew Hodgson posted to cu ice by paddydu on 2009-03-25 15:34:49 as
	A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model [My Copy] The Journal of Physical Chemistry, Vol. 97, No. 40. (1 October 1993), pp. 10269-10280. by Christopher I. Bayly, Piotr Cieplak, Wendy Cornell, Peter A. Kollman posted to amber charges gaff partial resp by paddydu on 2009-03-12 15:38:55 as along with 2 people Scis0000002 dfgreen
	From Ion Aggregation to Nanocrystal (Self-)Organization: a Transferable Simulation Platform [My Copy] Zeitschrift für anorganische und allgemeine Chemie, Vol. 634, No. 11. (2008), 2017. by Agnieszka Kawska, Patrick Duchstein, Oliver Hochrein, Dirk Zahn posted to no-tag by paddydu on 2009-03-05 11:18:53 as
	Counting complex disordered states by efficient pattern matching: chromatic polynomials and Potts partition functions [My Copy] New J. Phys., Vol. 11, No. 2. (February 2009), 023001. by Marc Timme, Frank van Bussel, Denny Fliegner, Sebastian Stolzenberg posted to coloring graph np-complete by paddydu on 2009-03-04 17:35:15 as along with 3 people klaush michaelbussmann lillejul
	Gene targeting reveals the role of Oc90 as the essential organizer of the otoconial organic matrix [My Copy] Developmental Biology, Vol. 304, No. 2. (15 April 2007), pp. 508-524. by X. Zhao, H. Yang, E. Yamoah, Y. Lundberg posted to calcite calcium carbonate oc90 otoconia otolin by paddydu on 2009-03-04 00:33:05 as
	Molecular Mechanical and Molecular Dynamic Simulations of Glycoproteins and Oligosaccharides. 1. GLYCAM_93 Parameter Development [My Copy] The Journal of Physical Chemistry, Vol. 99, No. 11. (1 March 1995), pp. 3832-3846. by Robert J. Woods, Raymond A. Dwek, Christopher J. Edge, Bert Fraser-Reid posted to forcefield glycam by paddydu on 2009-03-03 15:01:30 as
	Motif Identification in Materials Simulations [My Copy] Zeitschrift für anorganische und allgemeine Chemie, Vol. 635, No. 4-5. (2009), pp. 649-652. by Patrick Duchstein, Oliver Hochrein, Dirk Zahn posted to geometric hashing identification motif by paddydu on 2009-03-03 14:44:11 as along with 1 person rdf
	Calculated bulk and surface properties of sulfates [My Copy] Faraday Disc., Vol. 95 (1993), pp. 273-280. by Neil L. Allan, Andrew L. Rohl, David H. Gay, Catlow, Roger J. Davey, William C. Mackrodt posted to forcefield by paddydu on 2009-03-03 10:27:30 as
	Development and testing of a general amber force field. [My Copy] J Comput Chem, Vol. 25, No. 9. (15 July 2004), pp. 1157-1174. by J. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case posted to amber forcefield gaff by paddydu on 2009-03-03 10:19:48 as along with 10 people and 1 group rdf nigham lillekatt xdeupi gane5h kazemi megs easybakemuffin AndreaColetta pavanghatty LabCompMed
	Synthesis and characterization of polyacrylic acid–zinc oxide composites [My Copy] Journal of Materials Research, Vol. 6, No. 11. (November 1991) by A. Padilla, A. Vázquez, V. M. Castaño posted to composite paa zno by paddydu on 2009-02-27 13:56:15 as
	3D object recognition from 2D images using geometric hashing [My Copy] Pattern Recognition Letters, Vol. 13, No. 4. (April 1992), pp. 263-278. by D. M. Gavrila, F. C. A. Groen posted to geometric hashing image recognition by paddydu on 2009-02-26 22:34:52 as
	Bluetooth Khepera robot control and communication [My Copy] (10 November 2004) by Patrick Duchstein posted to no-tag by paddydu on 2009-02-26 22:22:06 as
	Extraktion und Visualisierung von Relationen in Textdokumentensammlungen auf der Basis einer Wortfeldanalyse [My Copy] (15 December 2006) by Patrick Duchstein posted to no-tag by paddydu on 2009-02-26 22:18:52 as
	Design of a Testbed for Planning Systems [My Copy] In AIPS 2002 Workshop on Knowledge Engineering Tools and Techniques for AI Planning (April 2002), pp. 51-58. by Klaus Varrentrapp, Ulrich Scholz, Patrick Duchstein edited by Lee Mccluskey posted to no-tag by paddydu on 2009-02-26 22:00:47 as
	Affine invariant model-based object recognition [My Copy] Robotics and Automation, IEEE Transactions on In Robotics and Automation, IEEE Transactions on, Vol. 6, No. 5. (1990), pp. 578-589. by Y. Lamdan, J. T. Schwartz, H. J. Wolfson posted to geometric hashing by paddydu on 2009-02-26 21:55:03 as
	Geometric Hashing: A General And Efficient Model-based Recognition Scheme [My Copy] Computer Vision., Second International Conference on In Computer Vision., Second International Conference on (1988), pp. 238-249. by Y. Lamdan, H. J. Wolfson posted to geometric hashing by paddydu on 2009-02-26 21:45:14 as along with 1 person cgoldfed

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protein	14
folding	13
collagen	12
forcefield	12
calcium	11
calcite	8
carbonate	8
function	7
geometric	7
hashing	7
matching	6
otoconia	6
amber	5
apatite	5
glycosylation	5
motif	5
zno	5
agarose	4
aragonite	4
glycoprotein	4
nucleation	4
scoring	4
structure	4
water	4
aggregation	3
beta-hairpin	3
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oc90	3
otoconin	3
otolin	3
otolith	3
phosphate	3
polysaccharide	3
alanine	2
barium	2
batio3	2
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energy	2
gaff	2
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identification	2
model	2
oxide	2
paa	2
proteoglycan	2
pyridinolin	2
simulation	2
titanate	2
tooth	2
tripos	2
x-ray	2
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al	1
aqueous	1
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sampling	1
sequence	1
shape	1
sodium	1
solution	1
solvation	1
stress	1
substitution	1
surface	1
tempering	1
transition	1
transition-path-sampling	1
visualization	1

paddydu's library 74 articles Export

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