Tag computational [more than 800 articles] Export

Recent papers classified by the tag computational.

	Improving the species cross-reactivity of an antibody using computational design. [My Copy] Bioorganic & medicinal chemistry letters, Vol. 19, No. 14. (15 July 2009), pp. 3744-3747. by Christopher J. Farady, Benjamin D. Sellers, Matthew P. Jacobson, Charles S. Craik posted to design computational by zwang on 2009-11-06 10:24:23 as
	The UCSC Genome Browser Database: update 2009 [My Copy] Nucl. Acids Res., Vol. 37, No. suppl_1. (1 January 2009), pp. D755-761. by R. M. Kuhn, D. Karolchik, A. S. Zweig, et al.T. Wang, K. E. Smith, K. R. Rosenbloom, B. Rhead, B. J. Raney, A. Pohl, M. Pheasant, L. Meyer, F. Hsu, A. S. Hinrichs, R. A. Harte, B. Giardine, P. Fujita, M. Diekhans, T. Dreszer, H. Clawson, G. P. Barber, D. Haussler, W. J. Kent posted to motifmap human genomics genome genes datasets data computational chromosome biology bioinformatics by kmdaily on 2009-11-06 00:15:39 as along with 3 people taroleo cpwardell jfr
	One-bit stochastic resonance storage device [My Copy] (4 Nov 2009) by S. A. Ibáñez, P. I. Fierens, G. A. Patterson, R. P. J. Perazzo, D. F. Grosz posted to devices computational by amozeika on 2009-11-05 14:58:12 as
	Hydrogen Bonding to Alkanes: Computational Evidence [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 27. (9 July 2009), pp. 7940-7944. by Solveig G. Olesen, Steen Hammerum posted to hydrogen-bond computational alkanes ab-initio by zfekete on 2009-11-04 13:55:05 as along with 2 people carlosjavierna Gershom
	Molecular Switch Controlled by Pulsed Bias Voltages [My Copy] Small, Vol. 5, No. 19. (2009), pp. 2218-2223. by Velimir Meded, Alexei Bagrets, Andreas Arnold, Ferdinand Evers posted to vibrational theory switch electronics_molecular density_functional_theory computational by arjanb20 on 2009-11-04 08:36:56 as
	Singlet\char21triplet transition in lateral quantum dots: A numerical renormalization group study [My Copy] Physical Review B, Vol. 69, No. 23. (Jun 2004), 235301. by W. Hofstetter, G. Zarand posted to theory kondo computational by arjanb20 on 2009-11-04 08:20:03 as
	A Preliminary Survey of the Peptoid Folding Landscape [My Copy] Journal of the American Chemical Society (29 October 2009), 091029134736034. by Glenn L. Butterfoss, P. Douglas Renfrew, Brian Kuhlman, Kent Kirshenbaum, Richard Bonneau posted to peptoid computational by jjurban on 2009-11-02 18:54:32 as
	Adaptive Mesh Fluid Simulations on GPU [My Copy] (29 Oct 2009) by Peng Wang, Tom Abel, Ralf Kaehler posted to gpu cuda computational amr by Xarthisius on 2009-11-02 13:16:10 as along with 3 people and 1 group hallman tmackay matthewturk Colorado Galaxy Clusters
	Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 43. (29 October 2009), pp. 11938-11948. by De, Ross C. Walker, Adrian E. Roitberg posted to peptide_models computational by jjurban on 2009-11-01 02:19:22 as along with 2 people zfekete carlosjavierna
	Reaction Mechanism of Deamidation of Asparaginyl Residues in Peptides: Effect of Solvent Molecules† [My Copy] The Journal of Physical Chemistry A, Vol. 110, No. 27. (1 July 2006), pp. 8354-8365. by Saron Catak, Gerald Monard, Viktorya Aviyente, Manuel F. Ruiz-Lopez posted to peptide_models computational by jjurban on 2009-11-01 01:56:30 as
	Quantifying the Intrinsic Effects of Two Point Mutation Models of Pro-Pro-Pro Triamino Acid Diamide. A First-Principle Computational Study [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 45. (1 November 2007), pp. 13135-13142. by Michelle A. Sahai, Bela Viskolcz, Emil F. Pai, Imre G. Csizmadia posted to peptide_models computational by jjurban on 2009-11-01 01:45:24 as
	Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets [My Copy] Journal of Computational Chemistry, Vol. 29, No. 9. (2008), pp. 1408-1422. by Pablo Echenique, José L. Alonso posted to peptide_models computational by jjurban on 2009-11-01 01:43:46 as along with 1 person middledomain
	Intramolecular Hydrogen Bond-Controlled Prolyl Amide Isomerization in Glucosyl 3′(S)-Hydroxy-5′-hydroxymethylproline Hybrids: Influence of a C-5′-Hydroxymethyl Substituent on the Thermodynamics and Kinetics of Prolyl Amide Cis/Trans Isomerization [My Copy] The Journal of Organic Chemistry, Vol. 74, No. 10. (15 May 2009), pp. 3735-3743. by Kaidong Zhang, Robel B. Teklebrhan, G. Schreckenbach, Stacey Wetmore, Frank Schweizer posted to peptidomimetic experimental computational by jjurban on 2009-11-01 00:43:42 as
	Measuring Central Bank Communication: An Automated Approach with Application to FOMC Statements [My Copy] Social Science Research Network Working Paper Series (10 September 2009) by David O. Lucca, Francesco Trebbi posted to policy monetary linguistics fomc computational communication central bank by jforest443 on 2009-10-30 21:36:43 as
	Configurationally driven folding of model tetrapeptides containing <FONT SIZE='-2'>L</FONT>- or <FONT SIZE='-2'>D</FONT>-morpholine-3-carboxylic acids as beta-turn nucleators [My Copy] Chirality, Vol. 21, No. 6. (2009), pp. 584-594. by Andrea Trabocchi, Filippo Sladojevich, Antonio Guarna posted to peptidomimetic experimental computational by jjurban on 2009-10-29 19:44:03 as
	β-Turn peptidomimetics incorporating i+1–i+3 residues: solid phase syntheses and conformational properties [My Copy] Tetrahedron: Asymmetry, Vol. 16, No. 5. (07 March 2005), pp. 1061-1069. by S. Reyes, K. Burgess posted to peptidomimetic experimental computational by jjurban on 2009-10-29 19:23:14 as
	Peptidomimetic Therapeutic Agents Targeting the Protease Enzyme of the Human Immunodeficiency Virus and Hepatitis C Virus [My Copy] Accounts of Chemical Research, Vol. 41, No. 10. (21 October 2008), pp. 1252-1263. by Youla S. Tsantrizos posted to peptidomimetic experimental computational by jjurban on 2009-10-29 19:12:03 as
	Synthesis and Solution Conformation of Homo-β-peptides Consisting of N-Mannofuranosyl-3-ulosonic acids [My Copy] The Journal of Organic Chemistry, Vol. 74, No. 20. (16 October 2009), pp. 7651-7659. by Manuel Andreini, Claude Taillefumier, Françoise Chrétien, Vincent Thery, Yves Chapleur posted to peptidomimetic experimental computational by jjurban on 2009-10-29 19:07:33 as
	Theoretical Analysis of Secondary Structures of β-Peptides [My Copy] Accounts of Chemical Research, Vol. 41, No. 10. (21 October 2008), pp. 1418-1427. by Yun-Dong Wu, Wei Han, De-Ping Wang, Yi Gao, Yi-Lei Zhao posted to review peptidomimetic computational by jjurban on 2009-10-29 19:01:05 as along with 2 people yzlab paulschlesinger
	Conformation of peptides constructed from achiral amino acid residues Aib and Delta<SUP><FONT SIZE='-1'>Z</FONT></SUP>Phe: Computational study of the effect of <FONT SIZE='-2'>L</FONT>/<FONT SIZE='-2'>D</FONT>- Leu at terminal positions [My Copy] Biopolymers, Vol. 77, No. 1. (2005), pp. 63-73. by Fateh S. Nandel, Baldeep Khare posted to peptidomimetic computational by jjurban on 2009-10-29 18:56:37 as
	Laser-tissue interaction modeling with LATIS. [My Copy] Applied optics, Vol. 36, No. 34. (1 December 1997), pp. 9068-9074. by R. A. London, M. E. Glinsky, G. B. Zimmerman, D. S. Bailey, D. C. Eder, S. L. Jacques posted to software laser hyperthermia computational by stharward on 2009-10-29 15:11:39 as
	A theoretical comparison of energy sources - microwave, ultrasound and laser - for interstitial thermal therapy [My Copy] Physics in Medicine and Biology, Vol. 43, No. 12. (1998), pp. 3535-3547. by Matthew G. Skinner, Megumi N. Iizuka, Michael C. Kolios, Michael D. Sherar posted to laser hyperthermia computational cancer by stharward on 2009-10-29 15:02:26 as
	Simulations of temperature field induced by laser in biological tissue [My Copy] Thermal Treatment of Tissue: Energy Delivery and Assessment In Proc SPIE, Vol. 4247, No. 1. (2001), pp. 7-11. by Shengyou Qian, Da Xing edited by Thomas P. Ryan posted to laser hyperthermia computational by stharward on 2009-10-29 14:48:14 as
	Enhanced Sampling in the Well-Tempered Ensemble [My Copy] (29 Oct 2009) by M. Bonomi, M. Parrinello posted to stat-mech sampling computational by itmeson on 2009-10-29 11:51:43 as along with 1 person marinari
	Kondo Effect in a Magnetic Field and the Magnetoresistivity of Kondo Alloys [My Copy] Physical Review Letters, Vol. 85, No. 7. (Aug 2000), pp. 1504-1507. by T. A. Costi posted to theory kondo computational by arjanb20 on 2009-10-29 09:36:35 as
	Core computational principles of language acquisition: can statistical learning do the job? Introduction to Special Section [My Copy] Developmental Science, Vol. 12, No. 3. (2009), pp. 365-368. by Bob McMurray, George Hollich posted to computational child_language by billhao on 2009-10-27 05:30:52 as
	The learner as statistician: three principles of computational success in language acquisition [My Copy] Developmental Science, Vol. 12, No. 3. (2009), pp. 409-411. by Melanie Soderstrom, Erin Conwell, Naomi Feldman, James Morgan posted to computational child_language by billhao on 2009-10-27 05:29:19 as
	A feedforward architecture accounts for rapid categorization [My Copy] PNAS, Vol. 104, No. 15. (10 April 2007), pp. 6424-6429. by Thomas Serre, Aude Oliva, Tomaso Poggio posted to unsupervised object neuroscience model memory learning hierarchical computational categorization by sdonatti on 2009-10-22 11:30:46 as along with 6 people and 1 group mthomure jddeng silberbauer cmunson ded_maxim alexstorer SoMuchToLearnAboutVision
	A unifying concept for the amino acid code [My Copy] Bulletin of Mathematical Biology, Vol. 46, No. 2. (1 March 1984), pp. 187-203. by Rosemarie Swanson posted to gray-code computational character-encoding by stharward on 2009-10-19 14:23:00 as
	The classification of amino acid conservation [My Copy] Journal of Theoretical Biology, Vol. 119, No. 2. (21 March 1986), pp. 205-218. by W. R. Taylor posted to sequence-alignment motif-identification computational amino-acids by stharward on 2009-10-19 13:49:15 as
	Automated protein sequence database classification. I. Integration of compositional similarity search, local similarity search, and multiple sequence alignment [My Copy] Bioinformatics, Vol. 14, No. 2. (1 March 1998), pp. 164-173. by J. Gracy, P. Argos posted to protein-classification database computational by stharward on 2009-10-17 19:12:24 as
	Amine−Gold Linked Single-Molecule Circuits: Experiment and Theory [My Copy] Nano Letters, Vol. 7, No. 11. (1 November 2007), pp. 3477-3482. by Su Y. Quek, Latha Venkataraman, Hyoung J. Choi, Steven G. Louie, Mark S. Hybertsen, J. B. Neaton posted to theory mcbj experimental computational by arjanb20 on 2009-10-15 14:12:39 as
	Biological systems modeling and analysis: a biomolecular technique of the twenty-first century. [My Copy] Journal of biomolecular techniques : JBT, Vol. 17, No. 4. (September 2006), pp. 252-269. by Gautam Goel, I-Chun C. Chou, Eberhard O. Voit posted to system modeling computational biology by sbottani on 2009-10-11 11:44:38 as along with 1 person athleem
	Fisher Matrices and Confidence Ellipses: A Quick-Start Guide and Software [My Copy] (23 Jun 2009) by Dan Coe posted to fisher-matrix cosmology computational by lukasho on 2009-10-09 08:20:53 as along with 1 person DavidePietrobon
	Efficient computation of absent words in genomic sequences [My Copy] BMC Bioinformatics, Vol. 9, No. 1. (26 March 2008), 167. by Julia Herold, Stefan Kurtz, Robert Giegerich posted to suffix_trees repeats regulatory motif metrics genomics genome computational bioinformatics algorithms by kmdaily on 2009-10-08 22:51:06 as along with 3 people operon xili03 langmead
	Sequence Seeking and Counter Streams: A Computational Model for Bidirectional Information Flow in the Visual Cortex [My Copy] Cereb. Cortex, Vol. 5, No. 1. (1 January 1995), pp. 1-11. by Shimon Ullman posted to top-down feedback computational architecture by braskob on 2009-10-05 01:16:50 as along with 1 person awooga
	On the computational architecture of the neocortex II: The role of cortico-cortical loops [My Copy] Biological Cybernetics, Vol. 66, No. 3. (7 January 1992), pp. 241-251. by D. Mumford posted to neocortex computational architecture by braskob on 2009-10-05 00:53:28 as along with 1 person awooga
	Getting Started in Computational Immunology [My Copy] PLoS Comput Biol, Vol. 4, No. 8. (2008), e1000128. by Steven H. Kleinstein posted to review immunology computational by tomhebbron on 2009-10-01 13:04:22 as along with 13 people and 2 groups svenrahmann VGreiff akraemer najwvandijk Zephyrus nuin barry reyez dakelley GeeSharpMinor rebeccamancy AbnerCYH jjray Roswell Cancer Crosstalk Bioinformatics
	Magnetohydrodynamics simulations on graphics processing units [My Copy] (30 Aug 2009) by Hon-Cheng Wong, Un-Hong Wong, Xueshang Feng, Zesheng Tang posted to mhd gpu computational by Xarthisius on 2009-09-25 20:32:13 as along with 1 person tmackay
	A Quick Guide to Teaching R Programming to Computational Biology Students [My Copy] PLoS Comput Biol, Vol. 5, No. 8. (28 August 2009), e1000482. by Stephen J. Eglen posted to teaching r programming computational biology by Stew to the group Bioinformatics - CRUK on 2009-09-24 09:25:34 as along with 61 people and 3 groups kaliczp maren sobolevnrm ltitodem zchen75 artaban421 natstreet jasonn tomhebbron psique eshirdel guhjy polivares ajw fishtank diamantis fastjoe23 kshameer daveGerrard hrogers JoeBanks cisevol srijit hwright Ayest VGreiff welliegirl asadrahman rdiaz ptrobajo heliopais coffeerv Vincent_Rouilly marekrud tnhh barry ansobol Zephyrus walshtp bertelsen fgibson pkonings Borelli klauso dlizcano dswan skembel djkt jclau lwaldron phoenixzxl timhubbard AJCann thegoose dullhunk brianb neils silberbauer daforerog ppgardne druvus BergmanLab eLearning in Leicester Journal picks
	Computational Molecular Evolution (Oxford Series in Ecology and Evolution) [My Copy] (07 December 2006) by Ziheng Yang posted to molecular evolution computational by nuttpo on 2009-09-22 06:38:48 as along with 5 people ilyashl treangen gjuggler druvus CharlesM
	A new stochastic approach to cumulative weak lensing [My Copy] (4 Sep 2009) by Kimmo Kainulainen, Valerio Marra posted to stochastic-approach weak-lensing statistical cosmology computational by lukasho on 2009-09-21 09:40:23 as along with 1 person DavidePietrobon
	Scientific Grid Computing: The First Generation [My Copy] Computing in Science and Engineering, Vol. 7, No. 5. (2005), pp. 24-32. by Jonathan Chin, Matthew J. Harvey, Shantenu Jha, Peter V. Coveney posted to scientific science grid computing computational by hyp0th3rmi4 on 2009-09-20 16:33:17 as
	The open science grid [My Copy] Journal of Physics: Conference Series, Vol. 78, No. 1. (2007), 012057. by Ruth Pordes, Don Petravick, Bill Kramer, et al.Doug Olson, Miron Livny, Alain Roy, Paul Avery, Kent Blackburn, Torre Wenaus, Frank Wurthwein, Ian Foster, Rob Gardner, Mike Wilde, Alan Blatecky, John McGee, Rob Quick posted to scientific science grid computing computational by hyp0th3rmi4 on 2009-09-20 16:29:22 as
	Computer Methods for Analyzing Sequence Recognition of Nucleic Acids [My Copy] Annual Review of Biophysics and Biophysical Chemistry, Vol. 17, No. 1. (1988), pp. 241-263. by G. D. Stormo posted to sequence-statistics sequence-pattern-recognition review computational by stharward on 2009-09-18 20:06:56 as
	From in vivo to in silico biology and back [My Copy] Nature, Vol. 443, No. 7111. (05 October 2006), pp. 527-533. by Barbara Di Ventura, Caroline Lemerle, Konstantinos Michalodimitrakis, Luis Serrano posted to systems model computational biology by VGreiff on 2009-09-17 09:55:45 as along with 7 people bertelsen aalibes wnpx mmt dbikard jrbanga vietanh0
	Computational identification of Drosophila microRNA genes [My Copy] Genome Biology, Vol. 4, No. 7.R42. (2003), pp. 1-20. by Eric Lai, Pavel Tomancak, Robert Williams, Gerald Rubin posted to sequence-pattern-recognition microrna drosophila computational by stharward on 2009-09-16 16:26:27 as along with 3 people and 1 group heliopais mtagaya wrowell microRNA
	Fast and effective prediction of microRNA/target duplexes [My Copy] RNA, Vol. 10, No. 10. (October 2004), pp. 1507-1517. by M. A. R. C. Rehmsmeier, Peter Steffen, Matthias Hãchsmann, Robert Giegerich posted to structure-prediction-nucleotides microrna computational by stharward on 2009-09-15 20:40:26 as along with 7 people and 2 groups dswan alessandroparini eckart_bindewald mortenlindow mtagaya Hosna maralena Bioinformatics microRNA
	Quantum transport : atom to transistor [My Copy] (2005) by Supriyo Datta posted to overview greens_function electronics_molecular coulomb_blockade computational by arjanb20 on 2009-09-12 17:12:14 as
	Theoretical Calculations on the Tetramethyldisilene Rearrangement: A New Approach to an Old Mechanistic Problem [My Copy] Chemistry - A European Journal, Vol. 15, No. 34. (2009), pp. 8526-8532. by Mrinmoy Nag, Peter P. Gaspar posted to silicon reaction organometalics mechanism main kinetics group computational chemistry chemical by mrinmoy on 2009-09-12 00:58:13 as

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