flbarroso's binding [114 articles] Export

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

	From fragment to clinical candidate—a historical perspective [My Copy] Drug Discovery Today, Vol. 14, No. 13-14. (07 July 2009), pp. 668-675. by Gianni Chessari, Andrew J. Woodhead posted to drug-design binding by flbarroso on 2009-12-02 20:42:24 as along with 1 person and 1 group pslee Fragment Based Drug Discovery
	Structural systems biology: modelling protein interactions. [My Copy] Nature reviews. Molecular cell biology, Vol. 7, No. 3. (March 2006), pp. 188-197. by Patrick Aloy, Robert B. Russell posted to system_biology protein-protein binding by flbarroso on 2009-11-14 16:16:46 as along with 24 people and 3 groups krapnik timg chica Scis0000002 ubcg08l ana aalibes bicko xico dgront drastic choonpeng henschel ruvido massivemayhem cat_worth fishtank iris_2001 gvuister lpfernandes Evangelia higueruelo chad_davis jteyra structural_bioinformatics Bioinformatics WetBiology
	Exploitation of binding energy for catalysis and design [My Copy] Nature, Vol. 461, No. 7268. (29 October 2009), pp. 1300-1304. by Summer B. Thyme, Jordan Jarjour, Ryo Takeuchi, et al.James J. Havranek, Justin Ashworth, Andrew M. Scharenberg, Barry L. Stoddard, David Baker posted to binding by flbarroso on 2009-11-14 16:15:49 as along with 4 people paulymer okapi pablocarb yse
	Inclusion of ionization states of ligands in affinity calculations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 76, No. 1. (2009), pp. 138-150. by Serena Donnini, Alessandra Villa, Gerrit Groenhof, Alan E. Mark, Rik K. Wierenga, André H. Juffer posted to titration ph binding by flbarroso on 2009-11-11 10:31:10 as along with 5 people and 2 groups onufriev rbaron ibuch sobolevnrm RamuAnandakrishnan McCammon baker-group
	Protein binding on polyelectrolyte-treated glassEffect of structure of adsorbed polyelectrolyte [My Copy] Journal of Chromatography A, Vol. 808, No. 1-2. (29 May 1998), pp. 61-70. by Y. Wang, P. Dubin posted to protein-polyelectrolyte light-scattering electrostatics binding beta-lactoglobulin by flbarroso on 2009-08-13 21:18:48 as
	Ligand binding to heme proteins. An evaluation of distal effects. [My Copy] The Journal of biological chemistry, Vol. 258, No. 23. (10 December 1983), pp. 14219-14232. by M. P. Mims, A. G. Porras, J. S. Olson, R. W. Noble, J. A. Peterson posted to binding hemoglobin by flbarroso on 2009-07-25 22:26:55 as
	Dioxygen affinity in heme proteins investigated by computer simulation. [My Copy] Journal of inorganic biochemistry, Vol. 100, No. 4. (April 2006), pp. 761-770. by M. A. Marti, A. Crespo, L. Capece, et al.L. Boechi, D. E. Bikiel, D. A. Scherlis, D. A. Estrin posted to binding hemoglobin simulation by flbarroso on 2009-07-25 22:24:16 as
	Experimental approaches to evaluate the thermodynamics of protein-drug interactions. [My Copy] Current drug targets, Vol. 9, No. 12. (December 2008), pp. 1071-1076. by W. F. de Azevedo, R. Dias posted to binding drug-design thermodynamics by flbarroso on 2009-07-21 19:08:16 as
	PDBcal: a comprehensive dataset for receptor-ligand interactions with three-dimensional structures and binding thermodynamics from isothermal titration calorimetry. [My Copy] Chemical biology & drug design, Vol. 71, No. 6. (June 2008), pp. 529-532. by L. Li, J. J. Dantzer, J. Nowacki, B. J. O'Callaghan, S. O. Meroueh posted to binding bioinformatics calorimetry database thermodynamics titration by flbarroso on 2009-07-21 19:07:31 as along with 3 people massivemayhem higueruelo kintoki
	Thermodynamics of protein-ligand interactions: history, presence, and future aspects. [My Copy] Journal of receptor and signal transduction research, Vol. 24, No. 1-2. (February 2004), pp. 1-52. by R. Perozzo, G. Folkers, L. Scapozza posted to binding thermodynamics by flbarroso on 2009-07-21 19:06:47 as
	Computational methods for calculation of ligand-binding affinity. [My Copy] Current drug targets, Vol. 9, No. 12. (December 2008), pp. 1031-1039. by W. F. de Azevedo, R. Dias posted to binding drug-design protein-drug by flbarroso on 2009-07-21 19:05:50 as
	Electrostatic and non-electrostatic contributions to the binding free energies of anthracycline antibiotics to DNA. [My Copy] Journal of molecular biology, Vol. 274, No. 2. (28 November 1997), pp. 253-267. by M. Baginski, F. Fogolari, J. M. Briggs posted to antibiotics binding dna electrostatics free_energy by flbarroso on 2009-07-21 19:04:37 as
	Evaluating electrostatic contributions to binding with the use of protein charge ladders. [My Copy] Science (New York, N.Y.), Vol. 272, No. 5261. (26 April 1996), pp. 535-537. by J. Gao, M. Mammen, G. M. Whitesides posted to binding electrophoresis electrostatics by flbarroso on 2009-07-21 18:55:13 as
	Protein folding via binding and [My Copy] Folding and Design, Vol. 3, No. 4. (August 1998), pp. R71-R80. by C. Tsai posted to binding folding reviews by flbarroso on 2009-07-21 15:53:12 as
	SuperLigands - a database of ligand structures derived from the Protein Data Bank. [My Copy] BMC bioinformatics [electronic resource]. , Vol. 6, No. 1. (19 May 2005) by E. Michalsky, M. Dunkel, A. Goede, R. Preissner posted to binding bioinformatics database protein-drug by flbarroso on 2009-07-19 19:34:54 as along with 3 people mijam kuhn ucbcjbm
	eF-seek: prediction of the functional sites of proteins by searching for similar electrostatic potential and molecular surface shape. [My Copy] Nucleic acids research, Vol. 35, No. Web Server issue. (1 July 2007) by K. Kinoshita, Y. Murakami, H. Nakamura posted to binding bioinformatics electrostatics by flbarroso on 2009-07-19 19:31:23 as along with 1 person tjimenez
	Barnase and barstar: two small proteins to fold and fit together. [My Copy] Trends in biochemical sciences, Vol. 14, No. 11. (November 1989), pp. 450-454. by R. W. Hartley posted to barnase barstar binding folding protein-protein by flbarroso on 2009-07-19 19:25:29 as
	Importance of protein binding for the interpretation of serum or plasma drug concentrations [My Copy] J Clin Pharmacol, Vol. 22, No. 5. (1 May 1982), pp. 259-263. by D. J. Greenblatt, E. M. Sellers, J. Koch-Weser posted to binding protein-drug by flbarroso on 2009-07-19 04:45:28 as
	Unraveling the Importance of Protein−Protein Interaction: Application of a Computational Alanine-Scanning Mutagenesis to the Study of the IgG1 Streptococcal Protein G (C2 Fragment) Complex [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 22. (1 June 2006), pp. 10962-10969. by Irina S. Moreira, Pedro A. Fernandes, Maria J. Ramos posted to binding igg immunoglobulin pb protein-protein solvent_accessible_surface by flbarroso on 2009-07-19 04:20:33 as along with 2 people IrinaMoreira higueruelo
	On proteins, grids, correlations, and docking [My Copy] Comptes Rendus Biologies, Vol. 327, No. 5. (May 2004), pp. 409-420. by M. Eisenstein posted to binding docking protein protein-protein by flbarroso on 2009-07-19 02:49:38 as along with 2 people csrocha timg
	Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy. [My Copy] Journal of computational chemistry, Vol. 23, No. 2. (30 January 2002), pp. 214-221. by O. Guvench, J. Weiser, P. Shenkin, I. Kolossváry, W. C. Still posted to binding continnum solvation solvent_accessible_surface by flbarroso on 2009-07-19 02:07:19 as along with 1 person onufriev
	On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy. [My Copy] Journal of the American Chemical Society, Vol. 125, No. 31. (6 August 2003), pp. 9523-9530. by R. M. Levy, L. Y. Zhang, E. Gallicchio, A. K. Felts posted to binding continnum prediction by flbarroso on 2009-07-19 01:46:25 as along with 1 person dfgreen
	Protein Folding and Binding: Effective Potentials, Replica Exchange Simulations, and Network Models [My Copy] Water and Biomolecules (2009), pp. 97-121. by A. K. Felts, M. Andrec, E. Gallicchio, R. M. Levy posted to binding effective-potentials folding simulation by flbarroso on 2009-07-19 00:59:58 as
	Magnitude of the Hydrophobic Effect at Central versus Peripheral Sites in Protein-Protein Interfaces [My Copy] Structure, Vol. 13, No. 2. (February 2005), pp. 297-307. by Y. Li, Y. Huang, C. Swaminathan, S. Smithgill, R. Mariuzza posted to antibody-antigen binding hydrophobicity protein-protein by flbarroso on 2009-07-19 00:53:41 as along with 1 person bicko
	Targeting protein-protein interactions with small molecules: challenges and perspectives for computational binding epitope detection and ligand finding. [My Copy] Current medicinal chemistry, Vol. 13, No. 22. (2006), pp. 2607-2625. by D. González-Ruiz, H. Gohlke posted to binding protein-protein by flbarroso on 2009-07-17 19:57:49 as along with 1 person allmensch
	Computational evaluation of protein-small molecule binding. [My Copy] Current opinion in structural biology, Vol. 19, No. 1. (20 February 2009), pp. 56-61. by O. Guvench, A. D. MacKerell posted to binding protein-drug by flbarroso on 2009-07-17 19:53:34 as along with 5 people and 2 groups sobolevnrm csrocha ucbcjbm phoenixzxl barry baker-group McCammon
	Ionic strength effects on the binding constant of calcium chelators: experiment and theory [My Copy] The Journal of Physical Chemistry, Vol. 96, No. 7. (1 April 1992), pp. 3135-3138. by Bo Svensson, Bo Joensson, Makoto Fushiki, Sara Linse posted to binding calcium-binding chelator electrostatics ion-binding ionic-strength by flbarroso on 2009-07-17 02:09:34 as
	Surface plasmon resonance characterization of calspermin–calmodulin binding kinetics [My Copy] Analytical Biochemistry, Vol. 376, No. 1. (01 May 2008), pp. 61-72. by A. Murphy, F. Kemp, J. Love posted to binding calcium-binding calmodulin calspermin protein-protein by flbarroso on 2009-07-17 01:17:51 as
	Molecular dynamics studies on the effect of trifluoperazine in the Ca2+ binding process of calmodulin [My Copy] Journal of Molecular Structure, Vol. 380, No. 1-2. (30 June 1996), pp. 101-111. by E. Kim, N. Kang, M. Jhon posted to binding calcium-binding calmodulin md protein-drug trifluoperazine by flbarroso on 2009-07-17 00:56:01 as
	Monte Carlo simulation of ion-protein binding [My Copy] In Computer Simulation of Biomolecular Systems, Vol. 2 (1993), pp. 464-482. by B. Jönsson, B. Svensson edited by W. F. van Gunsteren, P. K. Weiner, A. Wilkinson posted to binding electrostatics ion-binding by flbarroso on 2009-07-16 23:32:01 as
	Positively Charged Residues in DNA-Binding Domains of Structural Proteins Follow Sequence-specific Positions of DNA Phosphate Groups [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 13. (2 April 2009), pp. 4242-4247. by A. G. Cherstvy posted to binding dna electrostatics protein-dna by flbarroso on 2009-07-16 19:28:49 as
	What are the Sites Water Occupies at the Interface of a Phospholipid Membrane?† [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 13. (2 April 2009), pp. 4119-4124. by Victor V. Volkov, Yuji Takaoka, Roberto Righini posted to binding membrane by flbarroso on 2009-07-16 19:27:35 as along with 2 people and 1 group sobolevnrm willard baker-group
	Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: Application to Influenza neuraminidase [My Copy] Journal of Molecular Graphics and Modelling, Vol. 24, No. 2. (October 2005), pp. 147-156. by Pascal Bonnet, Richard A. Bryce posted to binding continnum influenza md by flbarroso on 2009-07-16 17:37:26 as
	Binding of Lysozyme to Unimolecular Micelles Formed from Hydrophobically-Modified Polyelectrolytes [My Copy] Macromolecules, Vol. 31, No. 20. (1 October 1998), pp. 6871-6877. by Takeshi Sato, Mikiharu Kamachi, Masanobu Mizusaki, Kenjiro Yoda, Yotaro Morishima posted to binding lysozyme protein-polyelectrolyte by flbarroso on 2009-07-15 05:46:54 as
	Free Energy Simulations Come of Age: Protein−Ligand Recognition [My Copy] Accounts of Chemical Research, Vol. 35, No. 6. (1 June 2002), pp. 430-437. by Thomas Simonson, Georgios Archontis, Martin Karplus posted to binding free_energy by flbarroso on 2009-07-15 04:18:31 as along with 2 people dfgreen dmobley
	Acquisition and use of calorimetric data for prediction of the thermodynamics of ligand-binding and folding reactions of proteins [My Copy] Current Opinion in Biotechnology, Vol. 5, No. 4. (August 1994), pp. 381-388. by P. Connelly posted to binding calorimetry folding by flbarroso on 2009-07-15 04:11:37 as
	Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design [My Copy] Biophysical Journal, Vol. 87, No. 5. (1 November 2004), pp. 3035-3049. by W. Chen, C. Chang, M. Gilson posted to binding cyclodextrin drug-design entropy by flbarroso on 2009-07-15 03:49:50 as along with 2 people and 1 group arlam dmobley Chang group
	Theory of Protein Titration Curves. I. General Equations for Impenetrable Spheres [My Copy] Journal of the American Chemical Society, Vol. 79, No. 20. (1 October 1957), pp. 5333-5339. by Charles Tanford, John G. Kirkwood posted to binding continnum dielectric electrostatics pka protein titration by flbarroso on 2009-07-15 03:44:28 as along with 3 people zenofchem mikaellund dfgreen
	Structural determinants of trypsin affinity and specificity for cationic inhibitors [My Copy] PRS, Vol. 8, No. 12. (1999), pp. 2621-2629. by I. Fabio Polticell, I. Paolo Ascenz, I. Martino Bolognes, G. Barry Honi posted to binding free_energy trypsin by flbarroso on 2009-07-15 03:36:10 as
	Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis [My Copy] Proteins: Structure, Function, and Genetics, Vol. 4, No. 1. (1988), pp. 7-18. by Michael K. Gilson, Barry Honig posted to binding electrostatics solvation by flbarroso on 2009-07-15 03:30:01 as along with 1 person dfgreen
	Molecular modeling methods. Basic techniques and challenging problems [My Copy] Pharmacology & Therapeutics, Vol. 60, No. 2. (1993), pp. 149-167. by B. Lesyng, J. Mccammon posted to pb binding md modeling by flbarroso on 2009-07-15 00:40:40 as
	Theory of biomolecular recognition [My Copy] Current Opinion in Structural Biology, Vol. 8, No. 2. (April 1998), pp. 245-249. by J. Mccammon posted to binding continnum by flbarroso on 2009-07-15 00:39:10 as
	Protein Electrostatics [My Copy] In Biotechnology Annual Review Volume 2, Vol. 2 (1996), pp. 315-372. by P. Martel, A. Baptista, S. Petersen posted to binding electrostatics ph by flbarroso on 2009-07-15 00:38:11 as along with 1 person scampos
	Molecular dynamics simulations of proteins and peptides: from folding to drug design. [My Copy] Current protein & peptide science, Vol. 9, No. 2. (April 2008), pp. 181-196. by G. Morra, M. Meli, G. Colombo posted to binding drug-design folding md peptide by flbarroso on 2009-07-14 04:01:55 as
	Interactions between beta-lactoglobulin and aroma compounds: different binding behaviors as a function of ligand structure. [My Copy] Journal of agricultural and food chemistry, Vol. 56, No. 21. (12 November 2008), pp. 10208-10217. by L. Tavel, I. Andriot, C. Moreau, E. Guichard posted to beta-lactoglobulin binding by flbarroso on 2009-07-14 03:38:09 as
	Computational and experimental approaches assess the interactions between bovine beta-lactoglobulin and synthetic compounds of pharmacological interest. [My Copy] Journal of molecular graphics & modelling, Vol. 26, No. 6. (February 2008), pp. 1004-1013. by I. Eberini, A. G. Rocco, M. Mantegazza, et al.E. Gianazza, A. Baroni, M. C. Vilardo, D. Donghi, M. Galliano, T. Beringhelli posted to beta-lactoglobulin binding by flbarroso on 2009-07-14 03:37:36 as
	Three-dimensional structure and ligand binding properties of trichosurin, a metatherian lipocalin from the milk whey of the common brushtail possum Trichosurus vulpecula. [My Copy] The Biochemical journal, Vol. 408, No. 1. (15 November 2007), pp. 29-38. by R. P. Watson, J. Demmer, E. N. Baker, V. L. Arcus posted to binding trichosurin whey by flbarroso on 2009-07-14 03:34:52 as along with 1 person dimka
	Interaction of fatty acids with beta-lactoglobulin and albumin from ruminant milk. [My Copy] Journal of biochemistry, Vol. 106, No. 6. (December 1989), pp. 1094-1097. by M. D. Pérez, C. Díaz de Villegas, L. Sánchez, P. Aranda, J. M. Ena, M. Calvo posted to albumin beta-lactoglobulin binding by flbarroso on 2009-07-14 03:33:00 as
	Comparison of the ability to bind lipids of beta-lactoglobulin and serum albumin of milk from ruminant and non-ruminant species. [My Copy] The Journal of dairy research, Vol. 60, No. 1. (February 1993), pp. 55-63. by M. D. Pérez, P. Puyol, J. M. Ena, M. Calvo posted to albumin beta-lactoglobulin binding by flbarroso on 2009-07-14 03:32:31 as
	The ligand-binding site of bovine beta-lactoglobulin: evidence for a function? [My Copy] Journal of molecular biology, Vol. 318, No. 4. (10 May 2002), pp. 1043-1055. by G. Kontopidis, C. Holt, L. Sawyer posted to beta-lactoglobulin binding by flbarroso on 2009-07-14 03:23:47 as

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electrostatics	445
protein-protein	235
protein	179
folding	176
bioinformatics	117
md	116
binding	114
beta-lactoglobulin	87
protein-polyelectrolyte	82
pb	70
drug-design	68
continnum	67
force-fields	65
applications	62
solvation	56
lysozyme	56
docking	55
free_energy	54
calcium-binding	52
pka	50
water	50
prediction	48
modeling	45
hydrophobicity	43
database	39
whey	39
ph	36
titration	35
polyelectrolytes	32
albumin	31
mc	31
system_biology	31
calmodulin	31
protein-surface	30
alfa-lactalbumin	30
liquids	30
aggregation	28
chitosan	28
virial	28
dielectric	26
drug-delivery	26
reviews	25
membrane	25
coacervate	25
crystallization	25
simulation	24
complexation	24
charge-regulation	23
electrophoresis	21
born	21
polarizable	21
amyloid	20
colloids	20
enzyme	19
ion-binding	17
polymer	17
rmc	17
alzheimer	17
milk	17
light-scattering	16
peptide	16
barnase	16
pectin	15
dna	15
nanoparticles	14
microcapsules	14
cancer	14
van-der-waals	14
lactoferrin	13
ionic-strength	13
thrombin	12
hemoglobin	12
barstar	12
qmmm	11
antibody-antigen	10
acacia	10
solvent_accessible_surface	10
lattice_models	10
stability	10
channel	9
micelles	9
chromatography	9
sampling	9
hirudin	9
caseins	9
structural-changes	8
evolutive	8
calorimetry	8
mc-sampling	8
entropy	8
calbindin	8
nmr	8
protein-drug	8
strategic_planning	7
hpmodel	7
flexibility	7
protein-peptide	7
solubility	7
hiv	6
soft_matter	6
ph-effect	6
double_layer	6
pk	6
effective-potentials	6
x-ray	6
discontinuities	6
trypsin	6
actin	6
pi	6
activity_coefficients	5
protein-dna	5
immunoglobulin	5
osmotic	5
like-charged	5
hofmeister	5
homology	5
prion	5
molecular_dynamics_package	5
thermodynamics	5
separation	5
ribonuclease	5
ion-pairs	5
intermolecular-forces	5
patch	5
emulsions	5
fluid	5
myosin	5
ovalbumin	4
nacl	4
chymotrypsin	4
on-the-wrong-side	4
validation_protein	4
hamaker	4
spectroscopy	4
ion-ion_correlation	4
ca_chain_models	4
design	4
cytochrome	4
concentration-effect	4
chymotrypsinogen	3
statistical_potentials	3
myoglobin	3
nanostructure	3
ca	3
thrombomodulin	3
debye-huckel	3
genomics	3
protein_structure	3
afm	3
multiscale_modeling	3
protein_families	3
spectrometry	3
diseases	3
lie	3
widom	3
biological_physics	3
similarity	3
fluorescence	3
sedimentation	2
thioredoxin	2
non-electrostatic	2
nanotechnology	2
bacteria	2
allostery	2
igg	2
zeta-potential	2
cholesterol	2
protein-family	2
coarse_grain	2
amorphous	2
brushes	2
heparin	2
precipitation	2
fatty-acids	2
ferritin	2
influenza	2
gels	2
antioxidant	2
lectin	2
xanthan	2
chromatin	2
dvlo	2
sod	2
anesthetics	2
bd	2
blood	2
fibril	2
hyaluronic	2
oppositely-charged	2
mineral	2
chemistry2	2
food	2
clays	2
coarse-graining	2
nanotubes	2
sir	2
alignment	2
trichosurin	1
transferases	1
fructose	1
acetylcholinesterase	1
tanford-kirkwood	1
turbidity	1
rnasea	1
drude	1
prion_proteins	1
toxin	1
multi-objective	1
crambin	1
lidocaine	1
gel-filtration	1
cyclodextrin	1
protease	1
pvs	1
ovomucoid	1
epr	1
hydration	1
bapta	1
pectase	1
fasciculin	1
antimicrobial	1
diffraction	1
spectophotometry	1
ab_initio	1
cathepsin	1
science	1
zeolites	1
melatonin	1
cements	1
kallikrein	1
fulleran	1
aot	1
gramicidin	1
synechococcus	1
ionic_liquids	1
qsar	1
lipid_bilayers	1
microtubules	1
structural_genomics	1
calspermin	1
geometry	1
percolation	1
microscopic	1
p53	1
pollen	1
protein_g	1
dissociation	1
paa	1
potential_energy	1
alginate	1
proteome	1
raman	1
diabetes	1
interaction_forces	1
copper_proteins	1
generalized	1
lattice_boltzmann	1
ubiquitin	1
histone	1
ribosome	1
tyrosinase	1
dispersion	1
phase_diagram	1
contact_map	1
encapsulation	1
quantum_chemistry	1
pdmdaac	1
three-body	1
rhodamine	1
virus_structure_and_assembly	1
nmr_experiments	1
lennard_jones	1
vaccines	1
trifluoperazine	1
random_numbers	1
tryptase	1
lactoperoxidase	1
mean_field	1
peroxidase	1
antibiotics	1
surface_area	1
genomes	1
history	1
fibroin	1
transferrin	1
scattering	1
dendrimer	1
anemia	1
proteomics	1
chelator	1
peg	1
collagen	1
surfaces	1
coagulation	1
electron-transfer	1
peptides	1
tubulin	1
quantum_chemical	1
gama-globulin	1
tetracene	1
vesicle	1
enkephalin	1
silica_material	1
argon_gas	1
attractive_forces	1
crowding	1
psoriasin	1
histidines	1
calcyclin	1
polysaccharide	1
parallelization	1
pss	1
counterion-condensation	1
ras-raf	1
tannins	1
parkinson	1

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