carlosjavierna's library 1123 articles Export

	Calcium Complexation by Corticosteroids [My Copy] Inorganic Chemistry, Vol. 48, No. 22. (16 November 2009), pp. 10780-10788. by Melanie R. Hauser, Kenneth M. Doxsee, Håkon Hope posted to general by carlosjavierna on 2009-11-10 01:04:02 as
	Motility and Protein Phosphorylation in Healthy and Asthenozoospermic Sperm [My Copy] Journal of Proteome Research, Vol. 8, No. 11. (6 November 2009), pp. 5382-5386. by Chying-Chyuan Chan, Hao-Ai Shui, Ching-Hsiang Wu, et al.Chih-Yuan Wang, Guang-Huan Sun, Han-Min Chen, Gwo-Jang Wu posted to phosphorylation by carlosjavierna on 2009-11-08 14:46:38 as
	Site Specific Phosphorylation of Insulin-Like Growth Factor Binding Protein-1 (IGFBP-1) for Evaluating Clinical Relevancy in Fetal Growth Restriction [My Copy] Journal of Proteome Research, Vol. 8, No. 11. (6 November 2009), pp. 5325-5335. by Majida Abu Shehab, Shinobu Inoue, Victor K. M. Han, Madhulika B. Gupta posted to phosphorylation by carlosjavierna on 2009-11-08 14:44:19 as
	Mapping the Phosphorylation Sites of Ulk1 [My Copy] Journal of Proteome Research, Vol. 8, No. 11. (6 November 2009), pp. 5253-5263. by Frank C. Dorsey, Kristie L. Rose, Silvia Coenen, et al.Stephanie M. Prater, Valerie Cavett, John L. Cleveland, Jennifer Caldwell-Busby posted to phosphorylation by carlosjavierna on 2009-11-08 14:41:37 as
	Phosphorylation of the Nuclear Form of Varicella-Zoster Virus Immediate-Early Protein 63 by Casein Kinase II at Serine 186 [My Copy] J. Virol., Vol. 83, No. 23. (1 December 2009), pp. 12094-12100. by Niklaus H. Mueller, Laurie L. Graf, David Orlicky, Don Gilden, Randall J. Cohrs posted to serine ser phosphorylation by carlosjavierna on 2009-11-05 08:20:42 as
	A Single Point Mutation in Nonstructural Protein NS2 of Bovine Viral Diarrhea Virus Results in Temperature-Sensitive Attenuation of Viral Cytopathogenicity [My Copy] J. Virol., Vol. 83, No. 23. (1 December 2009), pp. 12415-12423. by Alexander Pankraz, Simone Preis, Heinz-Jurgen Thiel, Andreas Gallei, Paul Becher posted to tyr his by carlosjavierna on 2009-11-05 08:19:30 as
	Herpes Simplex Virus Requires VP11/12 To Induce Phosphorylation of the Activation Loop Tyrosine (Y394) of the Src Family Kinase Lck in T Lymphocytes [My Copy] J. Virol., Vol. 83, No. 23. (1 December 2009), pp. 12452-12461. by Melany J. Wagner, James R. Smiley posted to tyrosine tyr phosphorylation by carlosjavierna on 2009-11-05 08:17:08 as
	Protonation of Individual Histidine Residues Is Not Required for the pH-Dependent Entry of West Nile Virus: Evaluation of the "Histidine Switch" Hypothesis [My Copy] J. Virol., Vol. 83, No. 23. (1 December 2009), pp. 12631-12635. by Steevenson Nelson, Subhajit Poddar, Tsai-Yu Lin, Theodore C. Pierson posted to histidine his by carlosjavierna on 2009-11-05 08:16:24 as along with 1 person and 1 group wsjames Oxford Virology
	The Elusive High Temperature Solid-State Structure of d,l-Norleucine [My Copy] Crystal Growth & Design, Vol. 9, No. 11. (4 November 2009), pp. 4610-4612. by S. J. Coles, T. Gelbrich, U. J. Griesser, M. B. Hursthouse, M. Pitak, T. Threlfall posted to leucine leu by carlosjavierna on 2009-11-05 07:48:07 as
	Detection of CTX-M type ESBLs by Testing with MicroScan Overnight and ESBL Confirmation Panels [My Copy] J. Clin. Microbiol. (4 November 2009), JCM.01507-09. by James H. Jorgensen, M. L. McElmeel, L. C. Fulcher, B. L. Zimmer posted to beta-lactamase by carlosjavierna on 2009-11-05 07:34:46 as
	An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 44. (3 November 2009), pp. 18539-18544. by Erik W. Debler, Roger MÃ¼ller, Donald Hilvert, Ian A. Wilson posted to aspartate asp by carlosjavierna on 2009-11-03 23:36:02 as
	Insights into the reactivation of cobalamin-dependent methionine synthase [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 44. (3 November 2009), pp. 18527-18532. by Markos Koutmos, Supratim Datta, Katherine A. Pattridge, Janet L. Smith, Rowena G. Matthews posted to threonine thr methionine met by carlosjavierna on 2009-11-03 23:33:06 as
	Computational design of ligand binding is not a solved problem [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 44. (3 November 2009), pp. 18491-18496. by Bettina Schreier, Christian Stumpp, Silke Wiesner, Birte HÃ¶cker posted to molecular-modeling by carlosjavierna on 2009-11-03 23:29:59 as along with 3 people reyez zwang pmung
	Refolding of the integral membrane protein light-harvesting complex II monitored by pulse EPR [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 44. (3 November 2009), pp. 18485-18490. by Christoph Dockter, Aleksei Volkov, Christian Bauer, et al.Yevhen Polyhach, ZoÃ© Joly-Lopez, Gunnar Jeschke, Harald Paulsen posted to folding by carlosjavierna on 2009-11-03 23:27:21 as along with 1 person jasonforse
	Molecular docking of a series of peptidomimetics in the trypanothione binding site of T. cruzi Trypanothione Reductase [My Copy] Journal of Molecular Graphics and Modelling (31 August 2009) by Samuel S. da Rocha Pita, José J. Cirino, Ricardo B. de Alencastro, Helena C. Castro, Carlos R. Rodrigues, Magaly G. Albuquerque posted to docking by carlosjavierna on 2009-10-31 17:35:04 as
	Genome wide analysis and comparative docking studies of new diaryl furan derivatives against human cyclooxygenase-2, lipoxygenase, thromboxane synthase and prostacyclin synthase enzymes involved in inflammatory pathway [My Copy] Journal of Molecular Graphics and Modelling (27 August 2009) by P. Nataraj Sekhar, L. Ananda Reddy, Marc De Maeyer, et al.K. Praveen Kumar, Y. S. Srinivasulu, M. S. L. Sunitha, I. S. N. Sphoorthi, G. Jayasree, A. Maruthi Rao, V. S. Kothekar posted to docking by carlosjavierna on 2009-10-31 17:30:09 as
	Induced-fit docking studies of the active and inactive states of protein tyrosine kinases [My Copy] Journal of Molecular Graphics and Modelling, Vol. 28, No. 4. (31 November 2009), pp. 336-346. by Haizhen Zhong, Ly M. Tran, Jenna L. Stang posted to docking by carlosjavierna on 2009-10-31 17:28:31 as
	Molecular dynamics simulations of the conformational changes in signal transducers and activators of transcription, Stat1 and Stat3 [My Copy] Journal of Molecular Graphics and Modelling, Vol. 28, No. 4. (06 November 2009), pp. 347-356. by Jianping Lin, Ralf Buettner, Yate-Ching Yuan, et al.Richard Yip, David Horne, Richard Jove, Nagarajan Vaidehi posted to molecular-dynamics-simulations conformational_change by carlosjavierna on 2009-10-31 17:26:18 as
	Molecular similarity including chirality [My Copy] Journal of Molecular Graphics and Modelling, Vol. 28, No. 4. (16 November 2009), pp. 368-370. by M. Stuart Armstrong, Garrett M. Morris, Paul W. Finn, Raman Sharma, W. Graham Richards posted to chiral by carlosjavierna on 2009-10-31 17:23:49 as
	Assaying phenothiazine derivatives as trypanothione reductase and glutathione reductase inhibitors by theoretical docking and Molecular Dynamics studies [My Copy] Journal of Molecular Graphics and Modelling (23 September 2009) by F. Iribarne, M. Paulino, S. Aguilera, O. Tapia posted to molecular-dynamics-simulations docking by carlosjavierna on 2009-10-31 17:22:52 as
	Thermococcus kodakaraensis mutants deficient in di-myo-inositol phosphate use aspartate to cope with heat stress [My Copy] J. Bacteriol. (30 October 2009), JB.01115-09. by Nuno Borges, Rie Matsumi, Tadayuki Imanaka, Haruyuki Atomi, Helena Santos posted to aspartate by carlosjavierna on 2009-10-31 17:12:51 as
	Kinetic characterization and quaternary structure of glutamate racemase from the periodontal anaerobe Fusobacterium nucleatum☆ [My Copy] Archives of Biochemistry and Biophysics, Vol. 491, No. 1-2. (20 November 2009), pp. 16-24. by Joanna Potrykus, Janette Flemming, Stephen L. Bearne posted to enantiomers by carlosjavierna on 2009-10-31 17:08:05 as
	Rice family GH1 glycoside hydrolases with β-d-glucosidase and β-d-mannosidase activities [My Copy] Archives of Biochemistry and Biophysics, Vol. 491, No. 1-2. (18 November 2009), pp. 85-95. by Teerachai Kuntothom, Sukanya Luang, Andrew J. Harvey, et al.Geoffrey B. Fincher, Rodjana Opassiri, Maria Hrmova, James R. Ketudat Cairns posted to family by carlosjavierna on 2009-10-31 17:06:42 as
	ADAM8 substrate specificity: Influence of pH on pre-processing and proteoglycan degradation [My Copy] Archives of Biochemistry and Biophysics, Vol. 491, No. 1-2. (18 November 2009), pp. 106-111. by Troii Hall, Lyle E. Pegg, Adele M. Pauley, H. David Fischer, Alfredo G. Tomasselli, Marc D. Zack posted to molecular-recognition by carlosjavierna on 2009-10-31 17:05:05 as
	Role of naturally occurring osmolytes in protein folding and stability [My Copy] Archives of Biochemistry and Biophysics, Vol. 491, No. 1-2. (19 November 2009), pp. 1-6. by Raj Kumar posted to review by carlosjavierna on 2009-10-31 17:01:21 as
	A glycine hinge for tRNA-dependent translocation of editing substrates to prevent errors by leucyl-tRNA synthetase [My Copy] FEBS Letters, Vol. 583, No. 21. (03 November 2009), pp. 3443-3447. by Anjali P. Mascarenhas, Susan A. Martinis posted to glycine gly by carlosjavierna on 2009-10-31 16:56:00 as
	A Method for Genetically Installing Site-Specific Acetylation in Recombinant Histones Defines the Effects of H3 K56 Acetylation [My Copy] Molecular Cell, Vol. 36, No. 1. (09 October 2009), pp. 153-163. by Heinz Neumann, Susan M. Hancock, Ruth Buning, et al.Andrew Routh, Lynda Chapman, Joanna Somers, Tom Owen-Hughes, John van Noort, Daniela Rhodes, Jason W. Chin posted to lysine lys acetylation by carlosjavierna on 2009-10-31 16:47:21 as
	Density Functional Theory Calculations of the Optical Rotation and Electronic Circular Dichroism: The Absolute Configuration of the Highly Flexible trans-Isocytoxazone Revised [My Copy] The Journal of Organic Chemistry, Vol. 74, No. 21. (6 November 2009), pp. 8051-8063. by Marcin Kwit, Maria D. Rozwadowska, Jacek Gawroński, Agnieszka Grajewska posted to dft by carlosjavierna on 2009-10-31 16:25:32 as
	Broth Microdilution Method To Detect Extended-Spectrum beta-Lactamases and AmpC beta-Lactamases in Enterobacteriaceae Isolates by Use of Clavulanic Acid and Boronic Acid as Inhibitors [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3409-3412. by Seok H. Jeong, Wonkeun Song, Jae-Seok Kim, Han-Sung Kim, Kyu M. Lee posted to beta-lactamase by carlosjavierna on 2009-10-31 16:19:04 as
	Infections with VIM-1 Metallo-beta-Lactamase-Producing Enterobacter cloacae and Their Correlation with Clinical Outcome [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3514-3519. by Marco Falcone, Maria L. Mezzatesta, Mariagrazia Perilli, et al.Chiara Forcella, Alessandra Giordano, Viviana Cafiso, Gianfranco Amicosante, Stefania Stefani, Mario Venditti posted to beta-lactamase by carlosjavierna on 2009-10-31 16:15:58 as
	Use of Boronic Acid Disk Tests To Detect Extended- Spectrum beta-Lactamases in Clinical Isolates of KPC Carbapenemase-Possessing Enterobacteriaceae [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3420-3426. by Athanassios Tsakris, Aggeliki Poulou, Katerina Themeli-Digalaki, et al.Evangelia Voulgari, Theodore Pittaras, Danai Sofianou, Spyros Pournaras, Dimitra Petropoulou posted to beta-lactamase by carlosjavierna on 2009-10-31 16:14:59 as
	Transmission of an Extended-Spectrum-Beta-Lactamase-Producing Escherichia coli (Sequence Type ST131) Strain between a Father and Daughter Resulting in Septic Shock and Emphysematous Pyelonephritis [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3780-3782. by Peter T. Ender, Deepakraj Gajanana, Brian Johnston, Connie Clabots, Frank J. Tamarkin, James R. Johnson posted to beta-lactamase by carlosjavierna on 2009-10-31 16:13:54 as
	First Neisseria gonorrhoeae Genotyping Analysis in France: Identification of a Strain Cluster with Reduced Susceptibility to Ceftriaxone [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3540-3545. by Laura Monfort, Valerie Caro, Zaelle Devaux, Anne-Sophie Delannoy, Sylvain Brisse, Patrice Sednaoui posted to beta-lactamase by carlosjavierna on 2009-10-31 16:11:44 as
	Large Dissemination of VIM-2-Metallo-beta-Lactamase-Producing Pseudomonas aeruginosa Strains Causing Health Care-Associated Community-Onset Infections [My Copy] J. Clin. Microbiol., Vol. 47, No. 11. (1 November 2009), pp. 3524-3529. by Athanassios Tsakris, Aggeliki Poulou, Ioulia Kristo, et al.Theodore Pittaras, Nicholas Spanakis, Spyros Pournaras, Fani Markou posted to beta-lactamase by carlosjavierna on 2009-10-31 16:11:06 as
	SRC kinase-mediated phosphorylation stabilizes iNOS in normal and in cancer cells [My Copy] Journal of Biological Chemistry (29 October 2009) by Alexey Tyryshkin, F. Murat Gorgun, Elmoataz Abdel Fattah, et al.Tuhina Mazumdar, Lavannya Pandit, Shenyan Zeng, N. Tony Eissa posted to tyrosine tyr phosphorylation by carlosjavierna on 2009-10-31 15:49:24 as
	Mathematical Approach by a Selectivity Model for Rationalization of pH- and Selector Concentration-Dependent Reversal of the Enantiomer Migration Order in Capillary Electrophoresis [My Copy] Analytical Chemistry, Vol. 81, No. 21. (1 November 2009), pp. 8765-8773. by Manuela Hammitzsch-Wiedemann, Gerhard K. E. Scriba posted to enantiomers dipeptides beta-cyclodextrin by carlosjavierna on 2009-10-31 15:44:08 as
	Hydrogen Bonding and Solvent Polarity Markers in the UV Resonance Raman Spectrum of Tryptophan: Application to Membrane Proteins [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 44. (5 November 2009), pp. 14769-14778. by Diana E. Schlamadinger, Jonathan E. Gable, Judy E. Kim posted to tryptophan trp by carlosjavierna on 2009-10-30 00:20:33 as
	Methyltetrahydrofolate:corrinoid/iron−sulfur Protein Methyltransferase (MeTr): Protonation State of the Ligand and Active-Site Residues [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 44. (5 November 2009), pp. 14787-14796. by Hernán Alonso, Peter L. Cummins, Jill E. Gready posted to aspartic-acid aspartate asp by carlosjavierna on 2009-10-30 00:18:19 as
	Aromatic Interactions in the Binding of Ligands to HMGCoA Reductase [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 44. (5 November 2009), pp. 14810-14815. by Emily A. Kee, Maura C. Livengood, Erin E. Carter, Megan McKenna, Mauricio Cafiero posted to tyrosine tyr by carlosjavierna on 2009-10-30 00:16:17 as
	Conserved residues in the UL24 protein of herpes simplex virus 1 are important for the dispersal of the nucleolar protein nucleolin. [My Copy] J. Virol. (28 October 2009), JVI.01428-09. by Luc Bertrand, Gabriel A. Leiva-Torres, Huda Hyjazie, Angela Pearson posted to conserved-residues by carlosjavierna on 2009-10-29 17:56:35 as
	An active-site mutation enhances the catalytic activity of the yeast Cryptococcus humicola d-aspartate oxidase [My Copy] Journal of Molecular Catalysis B: Enzymatic (03 August 2009) by Shouji Takahashi, Shunske Matsumoto, Kazuhiro Maruyama, et al.Ayaka Wakaizumi, Katsumasa Abe, Yoshio Kera, Ryo-hei Yamada posted to arginine arg by carlosjavierna on 2009-10-29 17:52:22 as
	The effect of substitution of Phe181 and Phe182 with Ala on activity, substrate specificity and stabilization of substrate at the active site of Bacillus thermocatenulatus lipase [My Copy] Journal of Molecular Catalysis B: Enzymatic (18 June 2009) by Ali A. Karkhane, Bagher Yakhchali, Ferdous R. Jazii, Bijan Bambai posted to phenylalanine phe by carlosjavierna on 2009-10-29 17:50:14 as
	Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis [My Copy] Journal of Structural Biology (03 September 2009) by Xue Yang, Zhenhua Wu, Xiangyu Wang, Chunting Yang, Honglin Xu, Yuequan Shen posted to crystal-structure by carlosjavierna on 2009-10-28 22:48:23 as
	A Conserved Glycine Residue of Trimeric Autotransporter Domains Plays a Key Role in Yersinia Adhesin A Autotransport [My Copy] J. Bacteriol., Vol. 189, No. 24. (15 December 2007), pp. 9011-9019. by Ulrike Grosskinsky, Monika Schutz, Michaela Fritz, et al.Yvonne Schmid, Marina C. Lamparter, Pawel Szczesny, Andrei N. Lupas, Ingo B. Autenrieth, Dirk Linke posted to glycine gly by carlosjavierna on 2009-10-28 04:22:01 as along with 1 person dlinke
	Protein−Solid Interactions: Important Role of Solvent, Ions, Temperature, and Buffer in Protein Binding to α-Zr(IV) Phosphate [My Copy] Langmuir, Vol. 25, No. 21. (3 November 2009), pp. 12635-12643. by Michael R. Duff, Challa V. Kumar posted to proteins by carlosjavierna on 2009-10-27 18:56:22 as
	Histidine-rich glycoprotein inhibited high mobility group box 1 in complex with heparin-induced angiogenesis in matrigel plug assay [My Copy] European Journal of Pharmacology (26 September 2009) by Hidenori Wake, Shuji Mori, Keyue Liu, Hideo K. Takahashi, Masahiro Nishibori posted to histidine his by carlosjavierna on 2009-10-26 15:12:08 as
	Mutations that Alter RcdA Surface Residues Decouple Protein Localization and CtrA Proteolysis in Caulobacter crescentus [My Copy] Journal of Molecular Biology (08 September 2009) by James A. Taylor, Jeremy D. Wilbur, Stephen C. Smith, Kathleen R. Ryan posted to mutagenesis by carlosjavierna on 2009-10-26 04:13:49 as
	Crystal Structures of A. acidocaldarius Endoglucanase Cel9A in Complex with Cello-Oligosaccharides: Strong −1 and −2 Subsites Mimic Cellobiohydrolase Activity [My Copy] Journal of Molecular Biology (31 August 2009) by Kelvin Eckert, Armelle Vigouroux, Leila Lo Leggio, Solange Moréra posted to crystal-structure by carlosjavierna on 2009-10-26 04:13:21 as
	Methionine Sulfoxide Reductase B Displays a High Level of Flexibility [My Copy] Journal of Molecular Biology (04 September 2009) by Fanomezana M. Ranaivoson, Fabrice Neiers, Brice Kauffmann, Sandrine Boschi-Muller, Guy Branlant, Frédérique Favier posted to methionine met by carlosjavierna on 2009-10-26 04:12:53 as
	Molecular Insights into the Interaction between α-Synuclein and Docosahexaenoic Acid [My Copy] Journal of Molecular Biology (08 September 2009) by Giorgia De Franceschi, Erica Frare, Luigi Bubacco, Stefano Mammi, Angelo Fontana, Patrizia P. de Laureto posted to parkinson molecular-recognition by carlosjavierna on 2009-10-26 02:20:10 as

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review	91
arg	68
arginine	59
molecular-dynamics-simulations	57
proteins	55
folding	54
molecular-dynamics	54
molecular-recognition	45
general	40
por-conseguir	37
phosphorilation	36
crystal-structure	34
molecular-modeling	34
tyr	31
cys	28
lys	27
mutagenesis	26
cysteine	25
ser	25
tyrosine	25
his	23
pro	23
amino-acids	22
beta-lactamase	21
host-guest-chemistry	21
alpha-helix	20
conformational-change	20
gly	20
lysine	20
proline	20
thr	20
peptides	19
serine	19
disorder	18
docking	18
ala	17
histidine	17
phe	17
threonine	17
protein	16
trp	16
x-ray	16
glycine	15
alanine	14
enantiomers	14
leu	14
phosphorylation	14
hydrogen-bonds	13
mini-review	13
beta-sheet	12
conformational	12
md	12
modeling	12
qmmm	12
qm-mm	12
proteinas	11
qsar	11
tryptophan	11
beta-cyclodextrin	10
cyclodextrin	10
gln	10
glu	10
host-guest	10
leucine	10
family	9
free-energy	9
side-chain	9
unfolding	9
conformational-states	8
conformer	8
enantioselectivity	8
genetic_code	8
glutamic-acid	8
phenylalanine	8
polyproline-ii	8
binding-sites	7
glutamate	7
glutamine	7
glycosylation	7
helix	7
peptide	7
amino-acid	6
asp	6
binding-site	6
conformations	6
dft	6
met	6
methylation	6
minireview	6
mutation	6
aspartate	5
binding-mode	5
chiral	5
dna	5
homology-modeling	5
monte-carlo	5
residue-analysis	5
sar	5
val	5
acetylation	4
aspartic-acid	4
beta-hairpin	4
chaperone	4
codon	4
databases	4
disulfide_bonds	4
force-field	4
force-fields	4
hiv	4
honig-barry-h	4
ile	4
inclusion-complex	4
methionine	4
potential-energy-surface	4
residue	4
tripeptide	4
ubiquitination	4
valine	4
water	4
active-site	3
amber	3
atoms-in-molecules	3
beta-turn	3
cancer	3
coil	3
dipeptide	3
folding-rates	3
free-energy-landscape	3
karplus-m	3
molecular_basis	3
open-to-closed	3
protein-folding	3
protein-ligand-binding	3
replica-exchange-molecular-dynamics	3
rotamer	3
roux	3
roux-benoit	3
sequences	3
software	3
stereoselectivity	3
two-binding-sites	3
alzheimer	2
aromatic-residues	2
asn	2
asparagine	2
basico	2
beta-bulge	2
beta-hairpins	2
beta-lactam-antibiotic-resistance	2
b-sheet	2
carbapenemases	2
carbon-nanotubes	2
cconformational-analysis	2
chaperones	2
chiral-recognition	2
coiled-coil	2
comformational-population	2
desorden	2
disulfide	2
dynamics	2
electrostatic-interactions	2
enzimas	2
fe	2
featured-article	2
ff	2
flexibility	2
hobza	2
hobzapavel	2
hydrophobic	2
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hydrophobicity	2
levitt	2
metallo-beta-lactamase	2
misfolding	2
nanotubes	2
pca	2
peps	2
perspective	2
potential-of-mean-force	2
principal-component-analysis	2
prion	2
protein-engineering	2
protein-protein-interactions	2
replica-exchange	2
replica-exchange-md	2
rotamer-libraries	2
stereochemistry	2
structural-basis	2
structure-activity-relationship	2
thornton	2
thorntonjm	2
ubiquitylation	2
unfolded	2
web-tools	2
3d-qsar	1
abinitio-md	1
abinitio-molecular-dynamics	1
alanemark	1
alfa-cyclodextrin	1
amino_acid_sequence	1
amyloid-b-protein	1
analysis	1
angel-e-garcia	1
antibiotic	1
antibiotic_resistance	1
aqueous-solubility	1
aqvist	1
argi	1
austin	1
autodock	1
basis-sets	1
bayly-christopher-i	1
bernardrbrooks	1
beta-lactam-antibiotics	1
beta_lactamase	1
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carlssonj	1
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case	1
cephalosporinase	1
change	1
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chemistry	1
chiral-separation	1
ciq	1
clbrooksiii	1
clinical-diagnosis	1
coarse-grained-md	1
coarse-grained-molecular-dynamics	1
computational-study	1
computer-imulations	1
conformation	1
conformational-behavior	1
conformational_change	1
conformational-energy-landscape	1
conformational-free-energy-surface	1
conformation-transitions	1
conserved-residues	1
cooperativity	1
crystal_structure	1
c-terminal-domain	1
daggett	1
deacetylation	1
decarboxilation	1
deimination	1
density-functionals	1
diabetes	1
diastereoselectivity	1
dihedral	1
dillka	1
dimers	1
dimethylation	1
dipeptides	1
dipeptido	1
discrete-molecular-dynamics	1
disordered-proteins	1
dna-carbon-nanotube	1
docking-methods	1
donaldgtruhlar	1
douglasjtobias	1
drug-design	1
drug-protein-interactions	1
drug-receptor-interactions	1
dynamic	1
enantiomeric-excess	1
enantiomeric-separation	1
enzyme-substrate-complex	1
ethanol	1
ethanol-solution	1
extended-spectrum-beta-lactamase	1
fe-landscape	1
fingerprint-methods	1
first-principles-md	1
first-principles-molecular-dynamics	1
free-energy-differences	1
friesnerr	1
gamma-turns	1
george-georgiou	1
gilsonmk	1
gly-gly	1
gly-gly-gly	1
goddardwaiii	1
groesl	1
helix-bundles	1
heme	1
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hiv-1	1
hiv-1-integrase	1
homology	1
hsa	1
hummer	1
hydrogen-bondsdensity-functional-theory	1
induced-fit	1
inhibitors	1
inouey	1
ionic-peptides	1
iron-containing-proteins	1
isoleucine	1
jialigao	1
jirisponer	1
kenethmerz	1
kinetics	1
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mackerell	1
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markae	1
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merzkm	1
metalloenzymes	1
michaellklein	1
mining-minima-method	1
mm-gbsa	1
molecular	1
molecular_dynamics_simulations	1
mutant	1
normal-mode-analysis	1
nucleator	1
pande-vijay-s	1
parkinson	1
pbp1b	1
perpective	1
pharmacology	1
phenilalanine	1
phosphoserine	1
pitera-jed-w	1
pmf	1
polypeptides	1
porins	1
post-translational-modification	1
pro-chirality	1
protein-architecture	1
protein-drug-interactions	1
protein-dynamics	1
protein-folding-rates	1
protein-translocation	1
recognition	1
refolding	1
regioselectivity	1
remd	1
rna	1
salt-bridge	1
serina	1
shv-1	1
side-chain-amino-acids	1
signal_peptide	1
signal_peptides	1
similarity-methods	1
simulations	1
solvation	1
substrate-recognition	1
succination	1
sulfated-b-cyclodextrin	1
superfamilies	1
swope-william	1
synthesis	1
targeted-molecular-dynamics	1
thanslocation	1
therapeutics	1
thermodynamics	1
thermodynamic-studies	1
trp-cage	1
trp-zipper	1
tuckermanme	1
two-active-sites	1
umbrella-sampling	1
xavierperiole	1

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