pablocarb's prediction [35 articles] Export

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	Relating protein pharmacology by ligand chemistry [My Copy] Nat Biotech, Vol. 25, No. 2. (07 February 2007), pp. 197-206. by Michael J. Keiser, Bryan L. Roth, Blaine N. Armbruster, Paul Ernsberger, John J. Irwin, Brian K. Shoichet posted to protein prediction pharmacology ligand drug chemical_similarity chemical_fingerprints by pablocarb on 2009-11-12 09:18:53 as along with 9 people mnishimu ucbcjbm Yanno tjimenez kuhn daevans massivemayhem dgront jerome_ucsf_slb
	Predicting new molecular targets for known drugs [My Copy] Nature In Nature, Vol. 462, No. 7270. (01 November 2009), pp. 175-181. by Michael J. Keiser, Vincent Setola, John J. Irwin, et al.Christian Laggner, Atheir I. Abbas, Sandra J. Hufeisen, Niels H. Jensen, Michael B. Kuijer, Roberto C. Matos, Thuy B. Tran, Ryan Whaley, Richard A. Glennon, Jerome Hert, Kelan L. H. Thomas, Douglas D. Edwards, Brian K. Shoichet, Bryan L. Roth posted to promiscuity prediction molecular_targets drug_target drug_discovery drug by pablocarb on 2009-11-12 09:16:14 as along with 15 people and 1 group flbarroso venancio okapi ahmetbakan zufar zwang TRHvidsten phoenixzxl qshao Yanno mnishimu tmmurali sjcockell seb1 abhishek_tiwari Journal picks
	Efficient Fuzzy Logic-Based Algorithm for Microarray Network Identification and Prediction in Bioinformatics [My Copy] by P. Carbonell posted to prediction microarray fuzzy_logic by pablocarb on 2009-11-03 14:01:47 as
	In Silico Approaches for Predicting ADME Properties of Drugs [My Copy] Drug Metabolism and Pharmacokinetics, Vol. 19, No. 5. (2004), pp. 327-338. by Fumiyoshi Yamashita, Mitsuru Hashida posted to qsar prediction in-silico drug descriptor admet by pablocarb on 2009-09-27 20:34:29 as
	Analysis of Catalytic Residues in Enzyme Active Sites [My Copy] Journal of Molecular Biology, Vol. 324, No. 1. (15 November 2002), pp. 105-121. by Gail J. Bartlett, Craig T. Porter, Neera Borkakoti, Janet M. Thornton posted to secondary_structure prediction enzyme-promis-paper enzyme catalytic_residues by pablocarb on 2009-09-03 11:13:41 as along with 4 people barmak7282 baaden chrn tny
	Prediction and Functional Analysis of Native Disorder in Proteins from the Three Kingdoms of Life [My Copy] Journal of Molecular Biology, Vol. 337, No. 3. (26 March 2004), pp. 635-645. by J. J. Ward, J. S. Sodhi, L. J. McGuffin, B. F. Buxton, D. T. Jones posted to enzyme-promis-paper svm prediction disorder by pablocarb on 2009-08-31 09:25:23 as along with 3 people yxue chad_davis rph
	Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity [My Copy] Bioinformatics, Vol. 21, No. suppl_1. (1 June 2005), pp. i359-368. by S. Joshua Swamidass, Jonathan Chen, Jocelyne Bruand, Peter Phung, Liva Ralaivola, Pierre Baldi posted to enzyme-promis-paper toxicity svm prediction kernel by pablocarb on 2009-08-31 09:09:58 as along with 1 person baldigroup
	Methyl side-chain dynamics prediction based on protein structure [My Copy] Bioinformatics (30 July 2009), btp463. by Pablo Carbonell, Antonio Del Sol posted to structure prediction methyl dynamics by pablocarb on 2009-08-26 13:40:15 as
	Predicting undesirable drug interactions with promiscuous proteins in silico [My Copy] Drug Discovery Today, Vol. 9, No. 6. (15 March 2004), pp. 276-285. by S. Ekins posted to enzyme-promis-paper in-silico prediction promiscuity toxicity by pablocarb on 2009-07-06 11:48:39 as along with 4 people pauldobson kuhn tomb girschick
	A feature-based approach to modeling protein-protein interaction hot spots [My Copy] Nucl. Acids Res., Vol. 37, No. 8. (1 May 2009), pp. 2672-2687. by Kyu-Il Cho, Dongsup Kim, Doheon Lee posted to hot-spots prediction svm by pablocarb on 2009-07-06 10:51:17 as along with 5 people higueruelo flbarroso phoenixzxl zwang neils
	Prediction of disordered regions in proteins from position specific score matrices. [My Copy] Proteins, Vol. 53 Suppl 6 (2003), pp. 573-578. by D. T. Jones, J. J. Ward posted to enzyme-promis-paper disorder prediction by pablocarb on 2009-05-29 13:50:57 as along with 2 people hryk chad_davis
	Identification of catalytic residues from protein structure using support vector machine with sequence and structural features. [My Copy] Biochemical and biophysical research communications, Vol. 367, No. 3. (14 March 2008), pp. 630-634. by G. Pugalenthi, K. K. Kumar, P. N. Suganthan, R. Gangal posted to enzyme-promis-paper catalytic prediction svm by pablocarb on 2009-05-22 15:10:39 as
	How accurate and statistically robust are catalytic site predictions based on closeness centrality? [My Copy] BMC Bioinformatics, Vol. 8 (11 May 2007), 153. by Eric Chea, Dennis R. Livesay posted to catalytic centrality prediction by pablocarb on 2009-05-22 14:56:09 as along with 3 people and 1 group neils Einat massivemayhem structural_bioinformatics
	Predicting Protein Function and Binding Profile via Matching of Local Evolutionary and Geometric Surface Patterns [My Copy] Journal of Molecular Biology, Vol. 387, No. 2. (27 March 2009), pp. 451-464. by Yan Y. Tseng, Joseph Dundas, Jie Liang posted to enzyme-promis-paper binding function prediction promiscuity by pablocarb on 2009-04-24 18:19:14 as along with 3 people and 4 groups sobolevnrm nickolay barry structural_bioinformatics McCammon Bioinformatics baker-group
	Computational Alanine Scanning of Protein-Protein Interfaces [My Copy] Sci. STKE, Vol. 2004, No. 219. (10 February 2004), pl2. by Tanja Kortemme, David E. Kim, David Baker posted to alanine-scanning hot-spots interactions prediction by pablocarb on 2009-04-22 15:31:26 as along with 8 people and 6 groups chemrahul82 onufriev bicko barry sangeetha blackbart joergkurtwegner skoddet structural_bioinformatics Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug
	Identification of hot-spot residues in protein-protein interactions by computational docking. [My Copy] BMC bioinformatics, Vol. 9, No. 1. (2008) by Solène Grosdidier, Juan Fernández-Recio posted to hot-spots prediction by pablocarb on 2009-04-22 15:29:34 as along with 6 people ubcg08l bicko grahamc higueruelo i000 neils
	Validation of Molecular Dynamics Simulations of Biomolecules Using NMR Spin Relaxation as Benchmarks: Application to the AMBER99SB Force Field [My Copy] Journal of Chemical Theory and Computation, Vol. 3, No. 3. (1 May 2007), pp. 961-975. by Scott A. Showalter, Rafael Bruschweiler posted to dynamics md nmr prediction side-chain by pablocarb on 2009-04-19 16:06:22 as along with 3 people bmduggan allmensch loison
	Toward Quantitative Interpretation of Methyl Side-Chain Dynamics from NMR by Molecular Dynamics Simulations [My Copy] J. Am. Chem. Soc., Vol. 129, No. 46. (21 November 2007), pp. 14146-14147. by S. A. Showalter, E. Johnson, M. Rance, R. Bruschweiler posted to dynamics md methyl prediction side-chain by pablocarb on 2009-04-19 15:41:02 as along with 1 person and 1 group sobolevnrm baker-group
	Accurate Prediction of Peptide Binding Sites on Protein Surfaces [My Copy] PLoS Comput Biol, Vol. 5, No. 3. (27 March 2009), e1000335. by Evangelia Petsalaki, Alexander Stark, Eduardo García-Urdiales, Robert B. Russell posted to binding peptide prediction protein by pablocarb on 2009-04-05 09:21:23 as along with 8 people and 1 group dfdong higueruelo nickolay phoenixzxl neils idoerg sobolevnrm paulschlesinger baker-group
	Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction. [My Copy] BMC Bioinformatics, Vol. 9 (2008), 400. by Stefan Kuhn, Björn Egert, Steffen Neumann, Christoph Steinbeck posted to nmr prediction by pablocarb on 2009-01-17 17:02:05 as
	Toward quantitative interpretation of methyl side-chain dynamics from NMR by molecular dynamics simulations. [My Copy] J Am Chem Soc, Vol. 129, No. 46. (21 November 2007), pp. 14146-14147. by Scott A. Showalter, Eric Johnson, Mark Rance, Rafael Brüschweiler posted to dynamics md prediction by pablocarb on 2009-01-17 17:02:05 as
	Reorientational contact-weighted elastic network model for the prediction of protein dynamics: comparison with NMR relaxation. [My Copy] Biophys J, Vol. 90, No. 10. (15 May 2006), pp. 3382-3388. by Dengming Ming, Rafael Brüschweiler posted to dynamics prediction by pablocarb on 2009-01-17 17:02:05 as
	Contact Model for the Prediction of NMR N-H Order Parameters in Globular Proteins. [My Copy] J Am Chem Soc, Vol. 130, No. 28. (16 July 2008), 9178. by Fengli Zhang, Rafael Brüschweiler posted to dynamics prediction by pablocarb on 2009-01-17 17:02:05 as
	Prediction of methyl-side chain dynamics in proteins. [My Copy] J Biomol NMR, Vol. 29, No. 3. (July 2004), pp. 363-368. by Dengming Ming, Rafael Brüschweiler posted to dynamics methyl prediction by pablocarb on 2009-01-17 17:02:04 as
	A simple model of backbone flexibility improves modeling of side-chain conformational variability. [My Copy] J Mol Biol, Vol. 380, No. 4. (18 July 2008), pp. 757-774. by Gregory D. Friedland, Anthony J. Linares, Colin A. Smith, Tanja Kortemme posted to dynamics prediction by pablocarb on 2009-01-17 17:02:04 as
	Protein conformational flexibility prediction using machine learning. [My Copy] J Magn Reson, Vol. 192, No. 1. (May 2008), pp. 37-47. by Oleg Trott, Keri Siggers, Burkhard Rost, 3rd A. Palmer posted to dynamics prediction by pablocarb on 2009-01-17 17:02:04 as
	Towards Fully Automated Structure-based Function Prediction in Structural Genomics: A Case Study [My Copy] Journal of Molecular Biology, Vol. 367, No. 5. (2007), pp. 1511-1511. posted to function prediction structural by pablocarb on 2009-01-17 17:02:03 as
	Analysis of homodimeric protein interfaces by graph-spectral methods -- Brinda et al. 15 (4): 265 -- Protein Engineering Design and Selection [My Copy] posted to cluster graph hot-spots prediction by pablocarb on 2009-01-17 17:02:03 as
	Hot spots - A review of the protein-protein interface determinant amino-acid residues [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 4. (2007), pp. 803-812. by Irina Moreira, Pedro Fernandes, Maria Ramos posted to hot-spots prediction by pablocarb on 2009-01-17 17:02:03 as
	Protein-protein interfaces: Analysis of amino acid conservation in homodimers [My Copy] Proteins: Structure, Function, and Genetics, Vol. 42, No. 1. (2001), pp. 108-124. by William Valdar, Janet Thornton posted to conservation interaction interface prediction by pablocarb on 2009-01-17 17:02:03 as
	Predicting functionally important residues from sequence conservation -- Capra and Singh, 10.1093/bioinformatics/btm270 -- Bioinformatics [My Copy] posted to conservation function prediction by pablocarb on 2009-01-17 17:02:03 as
	Protein–Protein Interaction Hotspots Carved into Sequences [My Copy] PLoS Computational Biology, Vol. 3, No. 7. (1 July 2007), pp. 119-119. by Yanay Ofran, Burkhard Rost posted to hot-spots interactions prediction by pablocarb on 2009-01-17 17:02:02 as
	How accurate and statistically robust are catalytic site predictions based on closeness centrality? [My Copy] BMC Bioinformatics, Vol. 8, No. 1. (11 May 2007), pp. 153-153. by Eric Chea, Dennis Livesay posted to catalytic network prediction by pablocarb on 2009-01-17 17:02:02 as
	Towards in silico prediction of immunogenic epitopes [My Copy] Trends in Immunology, Vol. 24, No. 12. (2003), pp. 667-667. posted to epitopes prediction by pablocarb on 2009-01-17 17:02:01 as
	Network-based prediction of protein function [My Copy] Mol Syst Biol, Vol. 3 (13 March 2007) by Roded Sharan, Igor Ulitsky, Ron Shamir posted to function network prediction protein systems-biology by pablocarb on 2009-01-17 17:01:59 as

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enzyme	63
dynamics	59
enzyme-promis-paper	53
network	53
evolution	52
promiscuity	50
prediction	35
systems-biology	32
interactions	22
protein	21
allostery	19
modularity	18
mutations	18
nmr	17
function	14
examples	14
antibodies	14
bioretro	13
metabolic	13
barrel	12
in-silico-mutagenesis	12
scaffold	12
database	12
synthetic-biology	12
proposal	11
catalytic	11
conservation	10
catalysis	10
hot-spots	10
drug	9
entropy	9
pathway	9
directed_evolution	9
toxicity	9
tree-of-life	9
structure	9
svm	8
engineering	8
domain	8
signatures	8
in-silico	8
binding	8
secondary	7
secondary_structure	7
specificity	7
energy	7
metabolism	7
clustering	7
disorder	7
epitopes	7
side-chain	7
md	7
structural	6
control	6
interaction	6
bioinformatics	6
systems_biology	6
metabolic_networks	5
immunology	5
qsar	4
software	4
tnf	4
centrality	4
superfamily	4
chemical_fingerprints	4
methyl	3
phylogenetics	3
tree	3
force-fields	3
energy-functions	3
foldx	3
antigen-binding	3
philogeny	3
reconstruction	3
affinity	3
systems	3
essential	3
fold	3
synthesis	3
similarity	3
enzyme_evolution	3
chemoinformatics	3
metabolic_pathways	3
cooperativity	3
molecular	3
drug_discovery	2
statistics	2
biology	2
gene	2
pathways	2
metabolic_engineering	2
enzyme_engineering	2
flexibility	2
backbone	2
modeling	2
tree_of_life	2
beta	2
metabolics	2
protein_interaction	2
divergent_evolution	2
ontologies	2
feedback	2
genome	2
reaction	2
hubs	2
fingerprint	2
substrate	2
phylogenetic_trees	2
graph	2
enzymes	2
betweenness	2
phylogenetic_reconstruction	2
trimodal	2
alllostery	2
bayesian	2
efficiency	2
kernel	2
evolutionary	2
interface	2
plants	2
fuzzy	2
interactons	1
essay	1
molecular_targets	1
retrieval	1
molecular_evolution	1
generation	1
protein_design	1
stability	1
dyamics	1
diagnosis	1
ipfam	1
language	1
admet	1
example	1
mrna	1
functional_analysis	1
chimera	1
enymes	1
strands	1
duplication	1
participation	1
profiling	1
classification	1
yeast	1
publishing	1
pharmacology	1
cluster	1
signaling	1
microarray	1
kegg	1
paratopes	1
motifs	1
alignment	1
fuzzy_logic	1
interaction_network	1
potentials	1
paleogenetics	1
biocatalysis	1
flux_balance_analysis	1
native_function	1
catalytic_residues	1
compression	1
expression	1
divergent_groups	1
bacteria	1
wiki	1
optimization_theory	1
protein_engineering	1
orthologous	1
mirna	1
adaptation	1
descriptor	1
ms	1
computational_intelligence	1
colocalization	1
robustness	1
gene_essentiality	1
storage	1
knockout	1
docking	1
signal	1
peptide	1
rna	1
hydrophobicity	1
virotherapy	1
cell_signaling	1
ligand	1
protein_networks	1
hiv-1	1
biosynthesis	1
mutant	1
cancer	1
regulatory	1
enzy	1
disease	1
visualization	1
sequence-analysis	1
chemical_similarity	1
quaternary_structure	1
correlation	1
system_biology	1
evolutionay	1
retraction	1
escherichia_coli	1
localization	1
cell	1
alanine-scanning	1
tyrosine	1
genomics	1
drug_resistance	1
horizontal_gene_transfer	1
high_throughput	1
selectivity	1
bioinformatics-tool	1
sensor	1
isomerase	1
metaboli	1
games	1
beta_alpha	1
promiscuiy	1
cofactor	1
sequence	1
fusion	1
synthetic_methods	1
rotamers	1
biomarkers	1
drug_target	1

pablocarb's prediction [35 articles] Export

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