carlosjavierna's general [44 articles] Export

Recent papers added to carlosjavierna's library classified by the tag general. You can also see everyone's general.

	Effects of a Mutation on the Folding Mechanism of a β-Hairpin [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 50. (17 December 2009), pp. 16184-16196. by Jarek Juraszek, Peter G. Bolhuis posted to replica-exchange-molecular-dynamics replica-exchange-md por-conseguir mutation general folding beta-hairpin by carlosjavierna on 2009-12-12 03:10:47 as
	A fast and accurate method for predicting pKa of residues in proteins [My Copy] Protein Engineering, Design and Selection In Protein Engineering, Design and Selection, Vol. 23, No. 1. (1 January 2010), pp. 35-42. by Ri-Bo Huang, Qi-Shi Du, Cheng-Hua Wang, Si-Ming Liao, Kuo-Chen Chou posted to general by carlosjavierna on 2009-12-10 02:09:59 as along with 2 people anuragsethi sobolevnrm
	Urea Destabilizes RNA by Forming Stacking Interactions and Multiple Hydrogen Bonds with Nucleic Acid Bases [My Copy] In Journal of the American Chemical Society, Vol. 131, No. 49. (16 December 2009), pp. 17759-17761. by U. Deva Priyakumar, Changbong Hyeon, D. Thirumalai, Alexander D. MacKerell posted to general by carlosjavierna on 2009-12-10 00:46:35 as
	Molecular Mechanism for the Denaturation of Proteins by Urea [My Copy] Biochemistry, Vol. 48, No. 32. (18 August 2009), pp. 7608-7613. by Jorge Almarza, Luis Rincon, Ali Bahsas, Francisco Brito posted to histidine his general by carlosjavierna on 2009-11-15 02:59:15 as
	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
	From one amino acid to another: tRNA-dependent amino acid biosynthesis [My Copy] Nucl. Acids Res., Vol. 36, No. 6. (1 April 2008), pp. 1813-1825. by Kelly Sheppard, Jing Yuan, Michael J. Hohn, Brian Jester, Kevin M. Devine, Dieter Soll posted to review general amino-acids by carlosjavierna on 2009-09-07 05:00:42 as
	The Impact of Polyols on Water Structure in Solution: A Computational Study† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 26. (2 July 2009), pp. 7548-7555. by Regina Politi, Liel Sapir, Daniel Harries posted to general by carlosjavierna on 2009-09-05 03:53:46 as along with 1 person qshao
	The role of entropy and polarity in intermolecular contacts in protein crystals [My Copy] Acta Crystallographica Section D, Vol. 65, No. 5. (May 2009), pp. 500-509. by Marcin Cieślik, Zygmunt S. Derewenda posted to general by carlosjavierna on 2009-08-31 03:29:32 as along with 1 person higueruelo
	Reducing radiation damage in macromolecular crystals at synchrotron sources [My Copy] Acta Crystallographica Section D, Vol. 65, No. 4. (Apr 2009), pp. 366-374. by Edward A. Stern, Yizhak Yacoby, Gerald T. Seidler, et al.Kenneth P. Nagle, Micah P. Prange, Adam P. Sorini, John J. Rehr, Andrzej Joachimiak posted to general by carlosjavierna on 2009-08-30 03:07:31 as
	Application of molecular replacement to protein powder data from image plates [My Copy] Acta Crystallographica Section D, Vol. 65, No. 4. (Apr 2009), pp. 348-355. by Jennifer A. Doebbler, Robert B. Von Dreele posted to general by carlosjavierna on 2009-08-30 01:39:00 as
	Re-refinement from deposited X-ray data can deliver improved models for most PDB entries [My Copy] Acta Crystallographica Section D, Vol. 65, No. 2. (01 Feb 2009), pp. 176-185. by Robbie P. Joosten, Thomas Womack, Gert Vriend, Gérard Bricogne posted to general by carlosjavierna on 2009-08-30 00:49:58 as
	Prospects for de novo phasing with de novo protein models [My Copy] Acta Crystallographica Section D, Vol. 65, No. 2. (01 Feb 2009), pp. 169-175. by Rhiju Das, David Baker posted to general by carlosjavierna on 2009-08-30 00:26:52 as
	Structure validation in chemical crystallography [My Copy] Acta Crystallographica Section D, Vol. 65, No. 2. (01 Feb 2009), pp. 148-155. by Anthony L. Spek posted to general by carlosjavierna on 2009-08-30 00:21:51 as
	Case-controlled structure validation [My Copy] Acta Crystallographica Section D, Vol. 65, No. 2. (01 Feb 2009), pp. 140-147. by Randy J. Read, Gerard J. Kleywegt posted to general by carlosjavierna on 2009-08-30 00:19:57 as along with 1 person martainn
	On vital aid: the why, what and how of validation [My Copy] Acta Crystallographica Section D, Vol. 65, No. 2. (01 Feb 2009), pp. 134-139. by Gerard J. Kleywegt posted to general by carlosjavierna on 2009-08-30 00:17:51 as
	Effect of the N2 residue on the stability of the alpha-helix for all 20 amino acids. [My Copy] Protein science : a publication of the Protein Society, Vol. 10, No. 7. (July 2001), pp. 1305-1311. by D. A. Cochran, A. J. Doig posted to alpha-helix amino-acids general by carlosjavierna on 2009-08-08 04:05:32 as
	Understanding β-hairpin formation [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 96, No. 16. (3 August 1999), pp. 9068-9073. by Aaron R. Dinner, Themis Lazaridis, Martin Karplus posted to basico beta-hairpin general karplus-m by carlosjavierna on 2009-08-07 15:53:45 as
	Energetics of hydrogen bonds in peptides [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 100, No. 22. (28 October 2003), pp. 12683-12687. by Sheh-Yi Sheu, Dah-Yen Yang, H. L. Selzle, E. W. Schlag posted to basico general hydrogen-bonds by carlosjavierna on 2009-08-07 15:27:15 as along with 1 person chiufanlee
	Correlations between oxygen affinity and sequence classifications of plant hemoglobins [My Copy] Biopolymers, Vol. 9999, No. 9999. (2009), NA. by Benoit J. Smagghe, Julie A. Hoy, Ryan Percifield, et al.Suman Kundu, Mark S. Hargrove, Gautam Sarath, Jean-Louis Hilbert, Richard A. Watts, Elizabeth S. Dennis, W. James Peacock, Sylvia Dewilde, Luc Moens, George C. Blouin, John S. Olson, Cyril A. Appleby posted to general by carlosjavierna on 2009-08-05 06:19:25 as
	RNA biophysics has come of age [My Copy] Biopolymers, Vol. 91, No. 10. (2009), pp. 811-814. by Olke C. Uhlenbeck posted to general rna by carlosjavierna on 2009-08-05 05:10:53 as along with 1 person physics
	Zinc can play chaperone-like and inhibitor roles during import of mitochondrial small Tim proteins [My Copy] J. Biol. Chem. (31 December 2008), M808691200. by Bruce Morgan, Swee K. Ang, Guanhua Yan, Hui Lu posted to general proteins by carlosjavierna on 2009-07-29 18:07:42 as
	Water−Chloride and Water−Bromide Hydrogen-Bonded Networks: Influence of the Nature of the Halide Ions on the Stability of the Supramolecular Assemblies [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 30. (30 July 2009), pp. 8626-8634. by Biswajit Dey, Somnath R. Choudhury, Patrick Gamez, et al.Attilio V. Vargiu, Arturo Robertazzi, Chih-Yuan Chen, Hon M. Lee, Atish D. Jana, Subrata Mukhopadhyay posted to general hydrogen-bonds by carlosjavierna on 2009-07-28 05:54:57 as
	Characterization of the Weak SS Bonds in the OSSSO and O2SSSO2 Molecules [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 30. (30 July 2009), pp. 8677-8682. by D. B. Chesnut, L. J. Bartolotti, R. D. Harcourt posted to general proteins by carlosjavierna on 2009-07-28 05:54:26 as
	The beta bulge: a common small unit of nonrepetitive protein structure [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 75, No. 6. (June 1978), pp. 2574-2578. by J. S. Richardson, E. D. Getzoff, D. C. Richardson posted to beta-bulge general proteinas proteins by carlosjavierna on 2009-07-12 00:48:14 as along with 1 person martainn
	Growth of novel protein structural data [My Copy] Proceedings of the National Academy of Sciences In Proceedings of the National Academy of Sciences, Vol. 104, No. 9. (27 February 2007), pp. 3183-3188. by Michael Levitt posted to general levitt proteinas proteins by carlosjavierna on 2009-07-11 23:22:25 as along with 6 people dgront reyez viktor21614 aalibes tjimenez bicko
	Nature of the protein universe. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 27. (7 July 2009), pp. 11079-11084. by Michael Levitt posted to general levitt proteinas proteins by carlosjavierna on 2009-07-11 20:29:23 as along with 10 people and 1 group kintoki martainn pmung ldiambra VGreiff philcarter TRHvidsten paulschlesinger apaydin renatomilani Orengo Group Journal Picks
	Antibiotic Overproduction by rpsL and rsmG Mutants of Various Actinomycetes [My Copy] Appl. Environ. Microbiol., Vol. 75, No. 14. (15 July 2009), pp. 4919-4922. by Yukinori Tanaka, Mamoru Komatsu, Susumu Okamoto, et al.Shinji Tokuyama, Akira Kaji, Haruo Ikeda, Kozo Ochi posted to antibiotic general by carlosjavierna on 2009-07-11 17:50:39 as along with 1 person rahmilale
	DNA methylation is widespread and associated with differential gene expression in castes of the honeybee, Apis mellifera [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 27. (7 July 2009), pp. 11206-11211. by Navin Elango, Brendan G. Hunt, Michael A. D. Goodisman, Soojin V. Yi posted to dna general methylation by carlosjavierna on 2009-07-11 17:46:33 as along with 2 people rschulz bpcusack
	Role of C−H Bond Strength in the Rate and Selectivity of Oxidative Dehydrogenation of Alkanes [My Copy] The Journal of Physical Chemistry C, Vol. 113, No. 28. (16 July 2009), pp. 12380-12386. by Michael Zboray, Alexis T. Bell, Enrique Iglesia posted to general by carlosjavierna on 2009-07-11 15:04:49 as
	The structural complexity of DNA templates—Implications on cellular complexity [My Copy] Journal of Theoretical Biology, Vol. 259, No. 3. (07 August 2009), pp. 621-627. by G. Yagil posted to general by carlosjavierna on 2009-07-11 14:30:03 as
	Are there lateral as well as polar engines for A motile gliding in myxobacteria? [My Copy] J. Bacteriol. (6 July 2009), JB.00486-09. by Dale Kaiser posted to general by carlosjavierna on 2009-07-08 17:53:38 as
	Polarization and Polarizability Assessed by Protein Amide Acidity [My Copy] Biochemistry, Vol. 48, No. 27. (14 July 2009), pp. 6482-6494. by Griselda Hernández, Janet S. Anderson, David M. Lemaster posted to general protein proteinas proteins by carlosjavierna on 2009-07-08 16:30:44 as along with 2 people sobolevnrm paulschlesinger
	Influence of Magnesium Ion on the Binding of p53 DNA-Binding Domain to DNA-Response Elements [My Copy] J Biochem, Vol. 146, No. 1. (1 July 2009), pp. 77-85. by Yonglai Xue, Shuai Wang, Xizeng Feng posted to general molecular-recognition by carlosjavierna on 2009-07-07 03:28:39 as
	Origin of Stacked-Ring Aromaticity [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 27. (9 July 2009), pp. 7945-7952. by Jun-Ichi Aihara posted to general by carlosjavierna on 2009-07-06 01:51:40 as
	A Quantitative Scale for the Extent of Conjugation of Substituted Olefines [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 27. (9 July 2009), pp. 7953-7962. by Zoltán Mucsi, Gregory A. Chass, Béla Viskolcz, Imre G. Csizmadia posted to general by carlosjavierna on 2009-07-06 01:51:02 as
	Carbon···Carbon Weak Interactions [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 29. (23 July 2009), pp. 8387-8393. by Ibon Alkorta, Fernando Blanco, José Elguero, José A. Dobado, Santiago M. Ferrer, Isaac Vidal posted to general by carlosjavierna on 2009-07-05 19:30:53 as
	Solvation of KSCN in Water [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by A. Botti, S. E. Pagnotta, F. Bruni, M. A. Ricci posted to general by carlosjavierna on 2009-07-05 18:44:23 as
	6-Pyruvoyltetrahydropterin Synthase Paralogs Replace the Folate Synthesis Enzyme Dihydroneopterin Aldolase in Diverse Bacteria [My Copy] J. Bacteriol., Vol. 191, No. 13. (1 July 2009), pp. 4158-4165. by Anne Pribat, Linda Jeanguenin, Aurora Lara-Nunez, et al.Michael J. Ziemak, John E. Hyde, Valerie de Crecy-Lagard, Andrew D. Hanson posted to general by carlosjavierna on 2009-06-15 23:41:48 as
	Energetic vs Synergetic Stability: A Theoretical Study [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 13. (2 April 2009), pp. 3266-3273. by Carolina Estarellas, Antonio Frontera, David Quiñonero, Ibon Alkorta, Pere M. Deyà, Jose Elguero posted to general host-guest host-guest-chemistry by carlosjavierna on 2009-03-29 16:50:02 as
	How can yeast cells decide between three activated MAP kinase pathways? A model approach [My Copy] Journal of Theoretical Biology, Vol. 257, No. 4. (21 April 2009), pp. 578-587. by Ludger Rensing, Peter Ruoff posted to general by carlosjavierna on 2009-03-22 19:16:08 as along with 1 person ellarond
	Can Two Molecules Have the Same NMR Spectrum? Hexacyclinol Revisited [My Copy] Organic Letters, Vol. 11, No. 6. (19 March 2009), pp. 1409-1412. by Giacomo Saielli, Alessandro Bagno posted to general by carlosjavierna on 2009-03-16 03:11:20 as
	Efficient Calculation of Heats of Formation† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 10. (12 March 2009), pp. 2165-2175. by W. S. Ohlinger, P. E. Klunzinger, B. J. Deppmeier, W. J. Hehre posted to general by carlosjavierna on 2009-03-10 00:14:57 as
	Charge Transfer in Partition Theory† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 10. (12 March 2009), pp. 2183-2192. by Morrel H. Cohen, Adam Wasserman, Roberto Car, Kieron Burke posted to general by carlosjavierna on 2009-03-10 00:08:26 as
	Physical Understanding through Variational Reasoning: Electron Sharing and Covalent Bonding† [My Copy] The Journal of Physical Chemistry A, Vol. 0, No. 0. (0000) by Klaus Ruedenberg, Michael W. Schmidt posted to general by carlosjavierna on 2009-03-10 00:04:36 as along with 1 person henk_eshuis

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review	101
arg	70
arginine	61
folding	60
molecular-dynamics-simulations	59
molecular-dynamics	56
proteins	55
molecular-recognition	46
general	44
por-conseguir	42
phosphorilation	36
molecular-modeling	34
crystal-structure	34
tyr	32
cys	31
lys	29
cysteine	28
beta-lactamase	28
ser	28
pro	26
mutagenesis	26
tyrosine	26
his	25
proline	23
lysine	22
serine	22
amino-acids	22
thr	22
gly	21
conformational-change	21
host-guest-chemistry	21
disorder	20
peptides	20
alpha-helix	20
histidine	19
threonine	19
phosphorylation	18
docking	18
ala	18
trp	17
phe	17
protein	16
x-ray	16
qmmm	16
glycine	16
alanine	15
hydrogen-bonds	15
enantiomers	15
leu	14
mini-review	14
beta-sheet	13
tryptophan	12
md	12
cyclodextrin	12
qm-mm	12
conformational	12
modeling	12
proteinas	11
qsar	11
host-guest	10
beta-cyclodextrin	10
leucine	10
glu	10
gln	10
unfolding	10
side-chain	9
family	9
free-energy	9
phenylalanine	8
dft	8
polyproline-ii	8
enantioselectivity	8
glutamic-acid	8
genetic_code	8
glycosylation	8
conformational-states	8
peptide	8
conformer	8
mutation	7
glutamate	7
asp	7
helix	7
minireview	7
glutamine	7
binding-sites	7
amino-acid	6
codon	6
binding-site	6
ile	6
dna	6
val	6
beta-hairpin	6
met	6
conformations	6
aspartate	6
methylation	6
valine	5
residue-analysis	5
sar	5
chiral	5
homology-modeling	5
monte-carlo	5
binding-mode	5
force-field	4
aspartic-acid	4
replica-exchange-molecular-dynamics	4
hiv	4
force-fields	4
honig-barry-h	4
chaperone	4
potential-energy-surface	4
tripeptide	4
disulfide_bonds	4
inclusion-complex	4
acetylation	4
methionine	4
residue	4
water	4
databases	4
ubiquitination	4
peps	3
protein-ligand-binding	3
unfolded	3
conformation	3
rotamer	3
cancer	3
roux-benoit	3
protein-folding	3
roux	3
stereoselectivity	3
amber	3
coiled-coil	3
beta-turn	3
sequences	3
molecular_basis	3
open-to-closed	3
karplus-m	3
active-site	3
disordered-proteins	3
free-energy-landscape	3
software	3
coil	3
dipeptide	3
replica-exchange-md	3
isoleucine	3
atoms-in-molecules	3
two-binding-sites	3
folding-rates	3
perspective	3
potential-of-mean-force	2
replica-exchange	2
hobzapavel	2
flexibility	2
hobza	2
web-tools	2
comformational-population	2
asparagine	2
rotamer-libraries	2
principal-component-analysis	2
prion	2
structural-basis	2
thorntonjm	2
pca	2
aromatic-residues	2
fe	2
chiral-recognition	2
carbon-nanotubes	2
ubiquitylation	2
featured-article	2
hydrophobicity	2
beta-hairpins	2
enzimas	2
electrostatic-interactions	2
metallo-beta-lactamase	2
parkinson	2
thornton	2
structure-activity-relationship	2
chaperones	2
beta-lactam-antibiotic-resistance	2
hydrophobic-interactions	2
dynamics	2
hydrophobic	2
beta-bulge	2
protein-engineering	2
kenethmerz	2
protein-protein-interactions	2
cconformational-analysis	2
levitt	2
nanotubes	2
desorden	2
carbapenemases	2
stereochemistry	2
asn	2
basico	2
ff	2
disulfide	2
misfolding	2
b-sheet	2
alzheimer	2
bilayer	1
protein-architecture	1
dillka	1
allosteric	1
sulfated-b-cyclodextrin	1
pande-vijay-s	1
deimination	1
perpective	1
car-parrinello-molecular-dynamics	1
thermodynamic-studies	1
george-georgiou	1
side-chain-amino-acids	1
induced-fit	1
computational-study	1
extended-spectrum-beta-lactamase	1
tuckermanme	1
cooperativity	1
alfa-cyclodextrin	1
drug-design	1
coarse-grained-molecular-dynamics	1
mining-minima-method	1
polypeptides	1
chiral-separation	1
austin	1
protein-translocation	1
catalytic_residues	1
phenilalanine	1
dipeptido	1
xavierperiole	1
free-energy-differences	1
drug-receptor-interactions	1
decarboxilation	1
carlssonj	1
groesl	1
pitera-jed-w	1
his-heme	1
friesnerr	1
substrate-recognition	1
ethanol-solution	1
normal-mode-analysis	1
conformational_change	1
thanslocation	1
analysis	1
clbrooksiii	1
succination	1
lxxll-motif	1
superfamilies	1
deacetylation	1
mm-gbsa	1
car-parrinello-md	1
ethanol	1
libraries	1
first-principles-md	1
umbrella-sampling	1
pharmacology	1
trp-zipper	1
merzkm	1
donaldgtruhlar	1
inhibitors	1
autodock	1
metalloenzymes	1
computer-imulations	1
signal_peptides	1
angel-e-garcia	1
thermodynamics	1
remd	1
enzyme-substrate-complex	1
protein-drug-interactions	1
conserved-residues	1
density-functionals	1
heme	1
molecular_dynamics_simulations	1
pro-chirality	1
diabetes	1
case	1
bernardrbrooks	1
markae	1
targeted-molecular-dynamics	1
first-principles-molecular-dynamics	1
therapeutics	1
conformational_changes	1
amyloid-b-protein	1
dimers	1
rna	1
simulations	1
abinitio-md	1
hiv-1-integrase	1
dimethylation	1
inouey	1
trp-cage	1
c-terminal-domain	1
diastereoselectivity	1
conformation-transitions	1
cephalosporinase	1
ciq	1
douglasjtobias	1
main-chain-flexibility	1
two-active-sites	1
chemistry	1
protein-folding-rates	1
dipeptides	1
pbp1b	1
shv-1	1
argi	1
alanemark	1
michaellklein	1
coarse-grained-md	1
recognition	1
discrete-molecular-dynamics	1
solvation	1
jialigao	1
signal_peptide	1
conformational-energy-landscape	1
iron-containing-proteins	1
similarity-methods	1
ionic-peptides	1
hydrogen_bond	1
salt-bridge	1
hydrogen-bondsdensity-functional-theory	1
synthesis	1
jirisponer	1
charmm	1
basis-sets	1
phosphoserine	1
dihedral	1
porins	1
fingerprint-methods	1
regioselectivity	1
gly-gly	1
abinitio-molecular-dynamics	1
binding	1
enantiomeric-excess	1
clinical-diagnosis	1
antibiotic_resistance	1
kinetics	1
beta_lactamase	1
daggett	1
swope-william	1
amino_acid_sequence	1
change	1
gilsonmk	1
gamma-turns	1
docking-methods	1
enantiomeric-separation	1
pmf	1
bayly-christopher-i	1
goddardwaiii	1
gly-gly-gly	1
drug-protein-interactions	1
post-translational-modification	1
fe-landscape	1
protein-dynamics	1
molecular	1
dna-carbon-nanotube	1
hiv-1	1
hummer	1
conformational-free-energy-surface	1
crystal_structure	1
conformational-behavior	1
mutant	1
serina	1
mackerell	1
3d-qsar	1
beta-lactam-antibiotics	1
nucleator	1
carbohydrates	1
homology	1
antibiotic	1
aqueous-solubility	1
refolding	1
mass-spectrometry	1
hsa	1
aqvist	1
dynamic	1
helix-bundles	1

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