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337 articles with title/keywords/abstract containing Ab initio prediction

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Structure-based Drug Metabolism Predictions for Drug Design

Authors: Sun, Hao; Scott, Dennis O.

Source: Chemical Biology & Drug Design, Volume 75, Number 1, January 2010 , pp. 3-17(15)

Publisher: Blackwell Publishing

Prediction of protein -residue contacts by Markov logic networks with grounding-specific weights

Authors: Lippi, Marco; Frasconi, Paolo

Source: Bioinformatics, Volume 25, Number 18, 15 September 2009 , pp. 2326-2333(8)

Publisher: Oxford University Press

Free Content Using DNA mechanics to predict in vitro nucleosome positions and formation energies

Authors: Morozov, Alexandre V.; Fortney, Karissa; Gaykalova, Daria A.; Studitsky, Vasily M.; Widom, Jonathan; Siggia, Eric D.

Source: Nucleic Acids Research, Volume 37, Number 14, 5 August 2009 , pp. 4707-4722(16)

Publisher: Oxford University Press

Quantitative Prediction of Critical Amino Acid Positions for Protein Folding

Authors: Thireou, Trias; Atlamazoglou, Vassilios; Papandreou, Nikolaos A.; Lonquety, Mathieu; Chomilier, Jacques; Eliopoulos, Elias

Source: Protein and Peptide Letters, Volume 16, Number 11, November 2009 , pp. 1342-1349(8)

Publisher: Bentham Science Publishers

Using multi-data hidden Markov models trained on local neighborhoods of protein structure to predict residue-residue contacts

Authors: Björkholm, Patrik; Daniluk, Pawel; Kryshtafovych, Andriy; Fidelis, Krzysztof; Andersson, Robin; Hvidsten, Torgeir R.

Source: Bioinformatics, Volume 25, Number 10, 15 May 2009 , pp. 1264-1270(7)

Publisher: Oxford University Press

Current Trends in Pseudogene Detection and Characterization

Authors: Rouchka, Eric C.; Cha, I. E.l.i.z.a.b.e.t.h.

Source: Current Bioinformatics, Volume 4, Number 2, May 2009 , pp. 112-119(8)

Publisher: Bentham Science Publishers

CPSP-web-tools: a server for 3D lattice protein studies

Authors: Mann, Martin; Smith, Cameron; Rabbath, Mohamad; Edwards, Marlien; Will, Sebastian; Backofen, Rolf

Source: Bioinformatics, Volume 25, Number 5, 1 March 2009 , pp. 676-677(2)

Publisher: Oxford University Press

Design of Highly Integrated Organic Nanodevice

Authors: dos Santos da Silva, Shirsley J.; Nero, Jordan Del

Source: Journal of Computational and Theoretical Nanoscience, Volume 6, Number 3, March 2009 , pp. 490-493(4)

Publisher: American Scientific Publishers

LOOPER: a molecular mechanics-based algorithm for protein loop prediction

Authors: Spassov, Velin Z.; Flook, Paul K.; Yan, Lisa

Source: Protein Engineering, Design and Selection, Volume 21, Number 2, 24 February 2008 , pp. 91-100(10)

Publisher: Oxford University Press

Free Content Predicting transcription factor specificity with all-atom models

Authors: Jamal Rahi, Sahand; Virnau, Peter; Mirny, Leonid A.; Kardar, Mehran

Source: Nucleic Acids Research, Volume 36, Number 19, 3 November 2008 , pp. 6209-6217(9)

Publisher: Oxford University Press

Function Prediction of Hypothetical Proteins Without Sequence Similarity to Proteins of Known Function (SUPPLEMENTARY MATERIALS)

Authors: Kannan, S.; Hauth, A. M.; Burger, G.

Source: Protein and Peptide Letters, Volume 15, Number 10, October 2008 , pp. 1107-1116(10)

Publisher: Bentham Science Publishers

A microsolvation approach to the prediction of the relative enthalpies and free energies of hydration for ammonium ions

Authors: Merrill, G.; Fletcher, G.

Source: Theoretical Chemistry Accounts, Volume 120, Numbers 1-3, May 2008 , pp. 5-22(18)

Publisher: Springer

Rapid ab initio prediction of RNA pseudoknots via graph tree decomposition

Authors: Zhao, Jizhen; Malmberg, Russell; Cai, Liming

Source: Journal of Mathematical Biology, Volume 56, Numbers 1-2, January 2008 , pp. 145-159(15)

Publisher: Springer

Mutual information without the influence of phylogeny or entropy dramatically improves residue contact prediction

Authors: Dunn, S.D.; Wahl, L.M.; Gloor, G.B.

Source: Bioinformatics, Volume 24, Number 3, 1 February 2008 , pp. 333-340(8)

Publisher: Oxford University Press

Editorial [ Protein-Protein Interactions Guest Editor: Emil Alexov ]

Author: Alexov, Emil

Source: Current Pharmaceutical Biotechnology, Volume 9, Number 2, April 2008 , pp. 55-56(2)

Publisher: Bentham Science Publishers

The molecular basis of urokinase inhibition: from the nonempirical analysis of intermolecular interactions to the prediction of binding affinity

Authors: Grzywa, Renata; Dyguda-Kazimierowicz, Edyta; Sieńczyk, Marcin; Feliks, Mikołaj; Sokalski, W.; Oleksyszyn, Józef

Source: Journal of Molecular Modeling, Volume 13, Numbers 6-7, July 2007 , pp. 677-683(7)

Publisher: Springer

“Pinning strategy”: a novel approach for predicting the backbone structure in terms of protein blocks from sequence

Authors: Brevern, A; Etchebest, C; Benros, C; Hazout, S

Source: Journal of Biosciences, Volume 32, Number 1, January 2007 , pp. 51-70(20)

Publisher: Springer

A Theoretical Study of 51V Electric Field Gradient Tensors in Pyrovanadates and Metavanadates

Authors: Lo, A. Y. H.; Hanna, J. V.; Schurko, R. W.

Source: Applied Magnetic Resonance, Volume 32, Number 4, December 2007 , pp. 691-708(18)

Publisher: Springer

Evaluation of NMR Chemical Shift by Fragment Molecular Orbital Method

Authors: Sekino, Hideo; Matsumura, Naoki; Sengoku, Yasuo

Source: Computing Letters, Volume 3, Numbers 2-4, 2007 , pp. 423-430(8)

Publisher: VSP, an imprint of Brill

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