carlosjavierna's library 1202 articles Export

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	Deciphering Structural and Functional Roles of Individual Disulfide Bonds of the Mitochondrial Sulfhydryl Oxidase Erv1p [My Copy] Journal of Biological Chemistry, Vol. 284, No. 42. (16 October 2009), pp. 28754-28761. by Swee K. Ang, Hui Lu posted to disulfide_bonds cysteine cys by carlosjavierna on 2009-10-09 23:13:06 as
	Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 100, No. 13. (24 June 2003), pp. 7587-7592. by Jed W. Pitera, William Swope posted to trp-cage swope-william replica-exchange-molecular-dynamics pitera-jed-w folding by carlosjavierna on 2009-10-09 17:57:37 as along with 1 person onufriev
	Histone H2B ubiquitylation is not required for histone H3 methylation at lysine 4 in tetrahymena [My Copy] Journal of Biological Chemistry (11 October 2009) by Zhe Wang, Bowen Cui, Martin A. Gorovsky posted to ubiquitylation methylation by carlosjavierna on 2009-10-12 23:03:32 as
	Deciphering the Structural Basis That Guides the Oxidative Folding of Leech-derived Tryptase Inhibitor [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35612-35620. by David Pantoja-Uceda, Joan L. Arolas, Francesc X. Aviles, Jorge Santoro, Salvador Ventura, Christian P. Sommerhoff posted to folding disulfide_bonds by carlosjavierna on 2009-10-10 20:13:18 as
	Intrinsic disorder in the Protein Data Bank. [My Copy] Journal of biomolecular structure & dynamics, Vol. 24, No. 4. (February 2007), pp. 325-342. by T. Le Gall, P. R. Romero, M. S. Cortese, V. N. Uversky, A. K. Dunker posted to disorder by carlosjavierna on 2008-10-15 02:39:25 as along with 2 people chgjb kluck
	Sequence complexity of disordered protein [My Copy] Proteins: Structure, Function, and Genetics, Vol. 42, No. 1. (2001), pp. 38-48. by Pedro Romero, Zoran Obradovic, Xiaohong Li, Ethan C. Garner, Celeste J. Brown, Keith A. Dunker posted to disorder by carlosjavierna on 2008-10-15 02:21:22 as along with 2 people i000 TOchi
	Flexible nets: disorder and induced fit in the associations of p53 and 14-3-3 with their partners. [My Copy] BMC genomics, Vol. 9 Suppl 1 (2008) by C. J. Oldfield, J. Meng, J. Y. Yang, M. Q. Yang, V. N. Uversky, A. K. Dunker posted to disorder by carlosjavierna on 2008-10-15 02:20:02 as along with 2 people higueruelo Evangelia
	The unfoldomics decade: an update on intrinsically disordered proteins. [My Copy] BMC genomics, Vol. 9 Suppl 2 (2008) by A. Keith Dunker, Christopher J. Oldfield, Jingwei Meng, et al.Pedro Romero, Jack Y. Yang, Jessica Walton W. Chen, Vladimir Vacic, Zoran Obradovic, Vladimir N. Uversky posted to disorder by carlosjavierna on 2008-10-14 19:42:07 as along with 6 people kiekyon niallhaslam robfsouza guhjy higueruelo chad_davis
	Short Linear Motifs recognized by SH2, SH3 and Ser/Thr Kinase domains are conserved in disordered protein regions. [My Copy] BMC genomics, Vol. 9 Suppl 2 (2008) by S. Ren, V. N. Uversky, Z. Chen, A. K. Dunker, Z. Obradovic posted to desorden by carlosjavierna on 2008-10-14 19:41:02 as along with 2 people hryk higueruelo
	TonB induces conformational changes in surface-exposed loops of FhuA, outer membrane receptor of Escherichia coli [My Copy] Protein Sci, Vol. 17, No. 10. (1 October 2008), pp. 1679-1688. by Karron J. James, Mark A. Hancock, Violaine Moreau, Franck Molina, James W. Coulton posted to change conformational by carlosjavierna on 2008-10-14 18:16:17 as
	Molecularly Defined Antibody Conjugation through a Selenocysteine Interface [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 12047-12057. by Thomas Hofer, Lauren R. Skeffington, Colby M. Chapman, Christoph Rader posted to cysteine cys by carlosjavierna on 2009-12-17 06:07:46 as
	Role of a Conserved Active Site Cation−π Interaction in Escherichia coli Serine Hydroxymethyltransferase [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 12034-12046. by Mirella Vivoli, Francesco Angelucci, Andrea Ilari, et al.Veronica Morea, Sebastiana Angelaccio, Martino L. di Salvo, Roberto Contestabile posted to serine ser by carlosjavierna on 2009-12-17 06:07:04 as along with 1 person paulschlesinger
	Apo and Nickel-Bound Forms of the Pyrococcus horikoshii Species of the Metalloregulatory Protein: NikR Characterized by Molecular Dynamics Simulations [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 12024-12033. by Daniel J. Sindhikara, Adrian E. Roitberg, Kenneth M. Merz posted to molecular-dynamics-simulations molecular-dynamics kenethmerz by carlosjavierna on 2009-12-17 06:06:12 as
	Kinetic Analysis of Cysteine Desulfurase CD0387 from Synechocystis sp. PCC 6803: Formation of the Persulfide Intermediate [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 12014-12023. by Elham Behshad, J. Martin Bollinger posted to cysteine cys by carlosjavierna on 2009-12-17 06:04:27 as
	Asp157 Is Required for the Function of PsbO, the Photosystem II Manganese Stabilizing Protein [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 11920-11928. by Hana Popelkova, Alan Commet, Charles F. Yocum posted to aspartate asp by carlosjavierna on 2009-12-17 06:02:32 as
	Role of Hydrophobic and Electrostatic Interactions in Coiled Coil Stability and Specificity [My Copy] Biochemistry, Vol. 48, No. 43. (3 November 2009), pp. 10380-10388. by Jody M. Mason, Urs B. Hagemann, Katja M. Arndt posted to coiled-coil by carlosjavierna on 2009-12-17 05:50:04 as
	Role of Tryptophan−Tryptophan Interactions in Trpzip β-Hairpin Formation, Structure, and Stability [My Copy] Biochemistry, Vol. 48, No. 43. (3 November 2009), pp. 10362-10371. by Ling Wu, Dan McElheny, Rong Huang, Timothy A. Keiderling posted to tryptophan trp by carlosjavierna on 2009-12-17 05:48:52 as
	Distinguishing between Smooth and Rough Free Energy Barriers in Protein Folding [My Copy] Biochemistry, Vol. 48, No. 49. (15 December 2009), pp. 11825-11830. by Stefano Gianni, Maurizio Brunori, Per Jemth, Mikael Oliveberg, Mingjie Zhang posted to folding by carlosjavierna on 2009-12-17 05:45:11 as along with 1 person samcho
	Influence of Proline upon the Folding and Geometry of the WALP19 Transmembrane Peptide [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 11883-11891. by Rachel Thomas, Vitaly V. Vostrikov, Denise V. Greathouse, Roger E. Koeppe posted to proline pro by carlosjavierna on 2009-12-17 05:44:24 as along with 1 person agrossfield
	Mechanisms of Antibiotic Resistance: QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin [My Copy] Journal of the American Chemical Society, Vol. 127, No. 12. (1 March 2005), pp. 4454-4465. by Johannes C. Hermann, Christian Hensen, Lars Ridder, Adrian J. Mulholland, Hans-Dieter Holtje posted to qmmm beta-lactamase by carlosjavierna on 2009-12-17 05:35:39 as
	A Combined QM/MM Approach to Protein−Ligand Interactions: Polarization Effects of the HIV-1 Protease on Selected High Affinity Inhibitors [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 27. (1 December 2004), pp. 6673-6680. by Christian Hensen, Johannes C. Hermann, Kwangho Nam, Shuhua Ma, Jiali Gao, Hans-Dieter Holtje posted to qmmm beta-lactamase by carlosjavierna on 2009-12-17 05:35:03 as
	Ab Initio QM/MM Study of Class A β-Lactamase Acylation: Dual Participation of Glu166 and Lys73 in a Concerted Base Promotion of Ser70 [My Copy] Journal of the American Chemical Society, Vol. 127, No. 44. (1 November 2005), pp. 15397-15407. by Samy O. Meroueh, Jed F. Fisher, H. Bernhard Schlegel, Shahriar Mobashery posted to qmmm beta-lactamase by carlosjavierna on 2009-12-17 05:34:19 as
	Investigation of the Mechanism of the Cell Wall dd-Carboxypeptidase Reaction of Penicillin-Binding Protein 5 of Escherichia coli by Quantum Mechanics/Molecular Mechanics Calculations [My Copy] Journal of the American Chemical Society, Vol. 130, No. 29. (1 July 2008), pp. 9293-9303. by Qicun Shi, Samy O. Meroueh, Jed F. Fisher, Shahriar Mobashery posted to qmmm peps by carlosjavierna on 2009-12-17 05:33:07 as
	Inhibition of Class A β-Lactamases by Carbapenems: Crystallographic Observation of Two Conformations of Meropenem in SHV-1 [My Copy] Journal of the American Chemical Society, Vol. 130, No. 38. (24 September 2008), pp. 12656-12662. by Michiyosi Nukaga, Christopher R. Bethel, Jodi M. Thomson, et al.Andrea M. Hujer, Anne Distler, Vernon E. Anderson, James R. Knox, Robert A. Bonomo posted to beta-lactamase by carlosjavierna on 2009-12-17 05:28:19 as
	Structural Basis for Clinical Longevity of Carbapenem Antibiotics in the Face of Challenge by the Common Class A β-Lactamases from the Antibiotic-Resistant Bacteria [My Copy] Journal of the American Chemical Society, Vol. 120, No. 38. (1 September 1998), pp. 9748-9752. by Laurent Maveyraud, Lionel Mourey, Lakshmi P. Kotra, et al.Jean-Denis Pedelacq, Valerie Guillet, Shahriar Mobashery, Jean-Pierre Samama posted to beta-lactamase by carlosjavierna on 2009-12-17 05:27:20 as
	The 1.4 Å Crystal Structure of the Class D β-Lactamase OXA-1 Complexed with Doripenem [My Copy] Biochemistry, Vol. 48, No. 50. (22 December 2009), pp. 11840-11847. by Kyle D. Schneider, Mary E. Karpen, Robert A. Bonomo, David A. Leonard, Rachel A. Powers posted to beta-lactamase by carlosjavierna on 2009-12-17 05:01:19 as
	Proteases That Can Distinguish among Different Post-translational Forms of Tyrosine Engineered Using Multicolor Flow Cytometry [My Copy] Journal of the American Chemical Society, Vol. 131, No. 50. (23 December 2009), pp. 18186-18190. by Navin Varadarajan, Mark Pogson, George Georgiou, Brent L. Iverson posted to tyrosine tyr by carlosjavierna on 2009-12-17 04:26:00 as
	Common Folding Mechanism of a β-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations [My Copy] Journal of the American Chemical Society, Vol. 131, No. 50. (23 December 2009), pp. 18147-18152. by Lipi Thukral, Jeremy C. Smith, Isabella Daidone posted to por-conseguir molecular-dynamics-simulations molecular-dynamics folding beta-hairpin by carlosjavierna on 2009-12-17 04:24:41 as
	The Distal Pocket Histidine Residue in Horse Heart Myoglobin Directs the O-Binding Mode of Nitrite to the Heme Iron [My Copy] Journal of the American Chemical Society, Vol. 131, No. 50. (23 December 2009), pp. 18119-18128. by Jun Yi, Julie Heinecke, Hui Tan, Peter C. Ford, George B. Richter-Addo posted to histidine his by carlosjavierna on 2009-12-17 04:21:04 as
	Radiolabeled Cyclic RGD Peptides as Integrin αvβ3-Targeted Radiotracers: Maximizing Binding Affinity via Bivalency [My Copy] Bioconjugate Chemistry, Vol. 20, No. 12. (16 December 2009), pp. 2199-2213. by Shuang Liu posted to review by carlosjavierna on 2009-12-17 04:13:35 as along with 1 person jianfengcai
	Saline Water Irrigation Effects on Antioxidant Defense System and Proline Accumulation in Leaves and Roots of Field-Grown Olive [My Copy] Journal of Agricultural and Food Chemistry, Vol. 57, No. 24. (23 December 2009), pp. 11484-11490. by Chedlia Ben Ahmed, Bechir Ben Rouina, Serhat Sensoy, Mekki Boukhriss, Ferjani B. Abdullah posted to proline pro by carlosjavierna on 2009-12-17 04:11:04 as
	Controlled Release and Entrapment of Enantiomers in Self-Assembling Scaffolds Composed of β-Sheet Peptides [My Copy] Biomacromolecules, Vol. 10, No. 12. (14 December 2009), pp. 3266-3272. by Ying Zhao, Masayoshi Tanaka, Takatoshi Kinoshita, Masahiro Higuchi, Tianwei Tan posted to enantiomers beta-sheet by carlosjavierna on 2009-12-16 04:21:18 as
	Cyclodextrin-Based Polymeric Materials: Synthesis, Properties, and Pharmaceutical/Biomedical Applications [My Copy] Biomacromolecules, Vol. 10, No. 12. (14 December 2009), pp. 3157-3175. by Frank van de Manakker, Tina Vermonden, Cornelus F. van Nostrum, Wim E. Hennink posted to review cyclodextrin by carlosjavierna on 2009-12-16 04:18:08 as
	The Side-On Copper(I) Nitrosyl Geometry in Copper Nitrite Reductase Is Due to Steric Interactions with Isoleucine-257 [My Copy] Inorganic Chemistry, Vol. 48, No. 24. (21 December 2009), pp. 11504-11506. by Anna C. Merkle, Nicolai Lehnert posted to isoleucine ile by carlosjavierna on 2009-12-16 04:05:55 as
	The catalytic residues of Tn3 resolvase [My Copy] Nucl. Acids Res., Vol. 37, No. 22. (1 December 2009), pp. 7590-7602. by Femi J. Olorunniji, W. Marshall Stark posted to catalytic_residues by carlosjavierna on 2009-12-16 03:01:27 as
	The Discodermolide Hairpin Structure Flows from Conformationally Stable Modular Motifs [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Ashutosh S. Jogalekar, Frederik H. Kriel, Qi Shi, Ben Cornett, Daniel Cicero, James P. Snyder posted to por-conseguir by carlosjavierna on 2009-12-15 18:13:46 as along with 1 person reyez
	Gly-Gly-Containing Triplets of Low Stability Adjacent to a Type III Collagen Epitope† [My Copy] Biochemistry, Vol. 36, No. 19. (1 May 1997), pp. 5878-5883. by Naina K. Shah, Meena Sharma, Alan Kirkpatrick, John A. M. Ramshaw, Barbara Brodsky posted to por-conseguir glycine gly by carlosjavierna on 2009-12-14 16:56:54 as
	Gas-Phase Hydrogen/Deuterium Exchange in a Traveling Wave Ion Guide for the Examination of Protein Conformations [My Copy] Analytical Chemistry, Vol. 81, No. 24. (15 December 2009), pp. 10019-10028. by Kasper D. Rand, Steven D. Pringle, James P. Murphy, Keith E. Fadgen, Jeff Brown, John R. Engen posted to conformation by carlosjavierna on 2009-12-14 15:04:25 as
	Direct Optical Detection of Aptamer Conformational Changes Induced by Target Molecules [My Copy] Analytical Chemistry, Vol. 81, No. 24. (15 December 2009), pp. 10002-10006. by Oara Neumann, Dongmao Zhang, Felicia Tam, Surbhi Lal, Pernilla Wittung-Stafshede, Naomi J. Halas posted to conformational_changes by carlosjavierna on 2009-12-14 15:03:15 as
	A short disordered N-terminal flagellin segment is a fully functional flagellar type III export signal. Application for secreted protein expression [My Copy] Appl. Environ. Microbiol. (11 December 2009), AEM.00858-09. by Jozsef Dobo, Janos Varga, Rachel Sajo, et al.Barbara M. Vegh, Peter Gal, Peter Zavodszky, Ferenc Vonderviszt posted to disorder by carlosjavierna on 2009-12-14 14:57:45 as
	The Discovery of Z-DNA: the Work of Alexander Rich [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. e23-e25. by Nicole Kresge, Robert D. Simoni, Robert L. Hill posted to dna by carlosjavierna on 2009-12-14 14:56:05 as
	Abnormal Expression of Collagen IV in Lens Activates Unfolded Protein Response Resulting in Cataract [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35872-35884. by Zeynep Firtina, Brian P. Danysh, Xiaoyang Bai, Douglas B. Gould, Takehiro Kobayashi, Melinda K. Duncan posted to unfolding by carlosjavierna on 2009-12-14 14:51:56 as
	The Divalent Metal Transporter Homologues SMF-1/2 Mediate Dopamine Neuron Sensitivity in Caenorhabditis elegans Models of Manganism and Parkinson Disease [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35758-35768. by Raja Settivari, Jennifer LeVora, Richard Nass posted to parkinson by carlosjavierna on 2009-12-14 14:47:47 as
	A Common Mutation in Paraoxonase-2 Results in Impaired Lactonase Activity [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35564-35571. by David A. Stoltz, Egon A. Ozer, Thomas J. Recker, et al.Miriam Estin, Xia Yang, Diana M. Shih, Aldons J. Lusis, Joseph Zabner posted to serine ser cysteine cys by carlosjavierna on 2009-12-14 14:44:27 as
	Signal Transducer and Activator of Transcription 3 (STAT3) Mediates Amino Acid Inhibition of Insulin Signaling through Serine 727 Phosphorylation [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35425-35432. by Jeong-Ho Kim, Mee-Sup Yoon, Jie Chen posted to serine ser phosphorylation by carlosjavierna on 2009-12-14 14:42:01 as
	Allosteric Inhibition of Human Porphobilinogen Synthase [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35807-35817. by Sarah H. Lawrence, Ursula D. Ramirez, Trevor Selwood, Linda Stith, Eileen K. Jaffe posted to allosteric by carlosjavierna on 2009-12-14 14:40:27 as
	Crystal Structure and Functional Analysis of Homocitrate Synthase, an Essential Enzyme in Lysine Biosynthesis [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35769-35780. by Stacie L. Bulfer, Erin M. Scott, Jean-FranÃ§ois Couture, Lorraine Pillus, Raymond C. Trievel posted to lysine lys by carlosjavierna on 2009-12-14 14:39:20 as
	The Lysine 48 and Lysine 63 Ubiquitin Conjugates Are Processed Differently by the 26 S Proteasome [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35485-35494. by Andrew D. Jacobson, Nan-Yan Zhang, Ping Xu, et al.Ke-Jun Han, Seth Noone, Junmin Peng, Chang-Wei Liu posted to lysine lys by carlosjavierna on 2009-12-14 14:34:44 as
	Regulation of Cellular Protein Phosphatase-1 (PP1) by Phosphorylation of the CPI-17 Family, C-kinase-activated PP1 Inhibitors [My Copy] Journal of Biological Chemistry, Vol. 284, No. 51. (18 December 2009), pp. 35273-35277. by Masumi Eto posted to minireview mini-review by carlosjavierna on 2009-12-14 14:29:02 as
	Pattern recognition receptors require N-glycosylation to mediate plant immunity [My Copy] Journal of Biological Chemistry (11 December 2009) by Heidrun Haeweker, Stephan Rips, Hisashi Koiwa, et al.Susanne Salomon, Yusuke Saijo, Delphine Chinchilla, Silke Robatzek, Antje von Schaewen posted to glycosylation by carlosjavierna on 2009-12-12 07:00:36 as

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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
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beta-hairpins	2
enzimas	2
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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
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catalytic_residues	1
phenilalanine	1
dipeptido	1
xavierperiole	1
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carlssonj	1
groesl	1
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friesnerr	1
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ethanol-solution	1
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thanslocation	1
analysis	1
clbrooksiii	1
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superfamilies	1
deacetylation	1
mm-gbsa	1
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ethanol	1
libraries	1
first-principles-md	1
umbrella-sampling	1
pharmacology	1
trp-zipper	1
merzkm	1
donaldgtruhlar	1
inhibitors	1
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angel-e-garcia	1
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remd	1
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protein-drug-interactions	1
conserved-residues	1
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diabetes	1
case	1
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amyloid-b-protein	1
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inouey	1
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cephalosporinase	1
ciq	1
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chemistry	1
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pbp1b	1
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alanemark	1
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jirisponer	1
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basis-sets	1
phosphoserine	1
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regioselectivity	1
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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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