The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study

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The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study is …
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scholarly articleQ13442814

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P819ADS bibcode2014PLoSO...998618Q
P356DOI10.1371/JOURNAL.PONE.0098618
P932PMC publication ID4051634
P698PubMed publication ID24915485
P5875ResearchGate publication ID262977040

P2093author name stringConnie Chen
Mala L Radhakrishnan
Priyanka Nakka
Helena W Qi
P2860cites workMacromolecular crowding and confinement: biochemical, biophysical, and potential physiological consequencesQ24644640
Crowded, cell-like environment induces shape changes in aspherical proteinQ24644970
Comparison of simple potential functions for simulating liquid waterQ26778447
Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasmQ27335032
Structure of human telomeric DNA in crowded solutionQ27667739
Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolutionQ27730837
All-atom empirical potential for molecular modeling and dynamics studies of proteinsQ27860468
VMD: visual molecular dynamicsQ27860554
The volume of atoms on the protein surface: calculated from simulation, using Voronoi polyhedraQ28288065
Structure, function, and folding of phosphoglycerate kinase are strongly perturbed by macromolecular crowdingQ28294869
Reduced native state stability in crowded cellular environment due to protein-protein interactionsQ30427115
All-atom simulations of crowding effects on ubiquitin dynamicsQ30659037
Molecular crowding creates an essential environment for the formation of stable G-quadruplexes in long double-stranded DNAQ33566519
Dependence of protein folding stability and dynamics on the density and composition of macromolecular crowdersQ33598985
Models of macromolecular crowding effects and the need for quantitative comparisons with experimentQ33788048
Molecular crowding enhances native state stability and refolding rates of globular proteinsQ33935100
Macromolecular crowding: obvious but underappreciatedQ33955060
Effects of proteins on protein diffusion.Q33969533
Volume exclusion and soft interaction effects on protein stability under crowded conditionsQ34082447
Electrostatic interactions mediate binding of obscurin to small ankyrin 1: biochemical and molecular modeling studies.Q34165588
The contrasting effect of macromolecular crowding on amyloid fibril formationQ34257414
Solvation dynamics of biological water in a single live cell under a confocal microscopeQ34556279
Macromolecular crowding: qualitative and semiquantitative successes, quantitative challenges.Q35183882
Influence of macromolecular crowding upon the stability and state of association of proteins: predictions and observationsQ36178505
Contrasting factors on the kinetic path to protein complex formation diminish the effects of crowding agentsQ36207928
Electrostatic interactions in the GCN4 leucine zipper: substantial contributions arise from intramolecular interactions enhanced on bindingQ36281595
Energetic decomposition with the generalized-born and Poisson-Boltzmann solvent models: lessons from association of G-protein components.Q50558237
Design of improved protein inhibitors of HIV-1 cell entry: Optimization of electrostatic interactions at the binding interface.Q50762559
Interactions of daidzin with intramolecular G-quadruplex.Q51143151
Modest protein-crowder attractive interactions can counteract enhancement of protein association by intermolecular excluded volume interactions.Q51597918
Molecular surface generation using a variable-radius solvent probe.Q51960093
CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsQ53340989
The electrostatic surface of MDM2 modulates the specificity of its interaction with phosphorylated and unphosphorylated p53 peptides.Q53499729
Multiple drugs and multiple targets: an analysis of the electrostatic determinants of binding between non-nucleoside HIV-1 reverse transcriptase inhibitors and variants of HIV-1 RT.Q54549089
Dielectric Modulation of Biological WaterQ56970521
Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparisonQ57000556
Join the crowdQ59069641
Protein Crowding Tunes Protein StabilityQ60128616
Macromolecular crowding effects on protein–protein binding affinity and specificityQ60490646
Barstar is electrostatically optimized for tight binding to barnaseQ73340022
Human telomeric DNA forms parallel-stranded intramolecular G-quadruplex in K+ solution under molecular crowding conditionQ80809959
Role of hydration on the functionality of a proteolytic enzyme α-chymotrypsin under crowded environmentQ84058208
Macromolecular crowding and protein stabilityQ84941040
Conformational sampling of peptides in cellular environmentsQ36344939
Optimization of binding electrostatics: charge complementarity in the barnase-barstar protein complex.Q36640288
Prediction of protein solubility from calculation of transfer free energyQ36856361
Influence of crowded cellular environments on protein folding, binding, and oligomerization: biological consequences and potentials of atomistic modelingQ37058930
An FFT-based method for modeling protein folding and binding under crowding: benchmarking on ellipsoidal and all-atom crowdersQ37263082
Atomistic modeling of macromolecular crowding predicts modest increases in protein folding and binding stabilityQ37263453
Macromolecular crowding modulates folding mechanism of alpha/beta protein apoflavodoxinQ37277214
Effect of macromolecular crowding on reaction rates: a computational and theoretical studyQ37279196
Effect of macromolecular crowding on protein binding stability: modest stabilization and significant biological consequencesQ37281880
Basic ingredients of free energy calculations: a reviewQ37662435
Free energy calculations of protein-ligand interactionsQ37891569
Formation of protein complexes in crowded environments--from in vitro to in vivoQ38075756
Decoding bacteriophage P22 assembly: identification of two charged residues in scaffolding protein responsible for coat protein interactionQ38950540
Effects of macromolecular crowding on the inhibition of virus assembly and virus-cell receptor recognition.Q39600262
Variable interactions between protein crowders and biomolecular solutes are important in understanding cellular crowdingQ40370768
Macromolecular crowding: biochemical, biophysical, and physiological consequencesQ40488946
Influence of macromolecular crowding on protein-protein association rates--a Brownian dynamics studyQ41668452
On the electrostatic component of protein-protein binding free energyQ41825118
Water-exclusion and liquid-structure forces in implicit solvationQ41928427
Conformational sampling of peptides in the presence of protein crowders from AA/CG-multiscale simulationsQ41977797
Protein crowding affects hydration structure and dynamics.Q42002777
Direct observation of protein unfolded state compaction in the presence of macromolecular crowdingQ42183163
Macromolecular crowding remodels the energy landscape of a protein by favoring a more compact unfolded stateQ42534036
Common crowding agents have only a small effect on protein-protein interactionsQ42629355
Factors defining effects of macromolecular crowding on protein stability: an in vitro/in silico case study using cytochrome c.Q42996132
Modulation of calmodulin plasticity by the effect of macromolecular crowdingQ43068173
Reduced or diminished stabilization of the telomere G-quadruplex and inhibition of telomerase by small chemical ligands under molecular crowding conditionQ43944824
On the role of electrostatic interactions in the design of protein-protein interfacesQ44021056
Substantial energetic improvement with minimal structural perturbation in a high affinity mutant antibodyQ45090347
Dynamics in cytoplasm, nucleus, and lipid droplet of a live CHO cell: time-resolved confocal microscopy.Q45111492
Effects of macromolecular crowding on burst phase kinetics of cytochrome c foldingQ46225680
Conservation of polar residues as hot spots at protein interfacesQ47621019
A set of van der Waals and coulombic radii of protein atoms for molecular and solvent-accessible surface calculation, packing evaluation, and dockingQ47625341
The effect of crowding and confinement: a comparison of Yfh1 stability in different environmentsQ47865066
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue6
P407language of work or nameEnglishQ1860
P921main subjectmacromoleculeQ178593
P304page(s)e98618
P577publication date2014-06-10
P1433published inPLOS OneQ564954
P1476titleThe effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study
P478volume9

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cites work (P2860)
Q41600734Crowding in Cellular Environments at an Atomistic Level from Computer Simulations
Q35537330Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation
Q47135560Molecular simulations of cellular processes.