Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water

scientific article published on 15 May 2001

Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water is …
instance of (P31):
scholarly articleQ13442814

External links are
P819ADS bibcode2001PNAS...98.5965R
P356DOI10.1073/PNAS.111158498
P932PMC publication ID33406
P698PubMed publication ID11353861
P5875ResearchGate publication ID24461130

P50authorMichael LevittQ6832227
P2093author name stringJ Tsai
T M Raschke
P2860cites workThe volume of atoms on the protein surface: calculated from simulation, using Voronoi polyhedraQ28288065
Areas, volumes, packing and protein structureQ28294108
The nature of the accessible and buried surfaces in proteinsQ28296598
Solvation energy in protein folding and bindingQ28307568
Stability of protein structure and hydrophobic interaction.Q30403599
Use of solvent cavity area and number of packed solvent molecules around a solute in regard to hydrocarbon solubilities and hydrophobic interactionsQ35055193
Simulating the minimum core for hydrophobic collapse in globular proteinsQ36280223
A model of the molten globule state from molecular dynamics simulationsQ37045931
Temperature dependence of the hydrophobic interaction in protein foldingQ37404841
Empirical correlation between hydrophobic free energy and aqueous cavity surface areaQ37454008
Molecular dynamics study of hydrophobic aggregation in water/methane/methanol systemsQ62051713
Molecular surface area and hydrophobic effectQ67471384
Physics of the granular stateQ81144351
P433issue11
P407language of work or nameEnglishQ1860
P921main subjecthydrophobicityQ41854968
P304page(s)5965-5969
P577publication date2001-05-15
P1433published inProceedings of the National Academy of Sciences of the United States of AmericaQ1146531
P1476titleQuantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water
P478volume98

Reverse relations

cites work (P2860)
Q30330463A procedure for detection and quantitation of cavity volumes proteins. Application to measure the strength of the hydrophobic driving force in protein folding.
Q34079015A structural perspective of compensatory evolution
Q34092509Accessible surfaces of beta proteins increase with increasing protein molecular mass more rapidly than those of other proteins
Q33425252Anti-cooperativity and cooperativity in hydrophobic interactions: Three-body free energy landscapes and comparison with implicit-solvent potential functions for proteins
Q44651290Association Lifetimes of Hydrophobic Amino Acid Pairs Measured Directly from Molecular Dynamics Simulations
Q36382326BODIPY-Based Fluorescent Probes for Sensing Protein Surface-Hydrophobicity.
Q35568225Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State Complexes
Q41981227Biomolecular surface construction by PDE transform
Q39397078Bottom-up approach to build osteon-like structure by cell-laden photocrosslinkable hydrogel
Q31031804Clusters of isoleucine, leucine, and valine side chains define cores of stability in high-energy states of globular proteins: Sequence determinants of structure and stability.
Q35882173Critical Dipole Length for the Wetting Transition Due to Collective Water-dipoles Interactions
Q33798510Critical interactions in the stability control region of tropomyosin
Q36024304Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding
Q37432433Destabilization of the MutSα's protein-protein interface due to binding to the DNA adduct induced by anticancer agent carboplatin via molecular dynamics simulations
Q36775306Directed assembly of cell-laden microgels for fabrication of 3D tissue constructs
Q35578484Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water
Q30449264Emerging technologies for assembly of microscale hydrogels
Q78679290Evidence of turn and salt bridge contributions to beta-hairpin stability: MD simulations of C-terminal fragment from the B1 domain of protein G
Q91622583Free Energy Calculations Based on Coupling Proximal Distribution Functions and Thermodynamic Cycles
Q60588163Host–guest inclusion complexes between anticancer drugs and β-cyclodextrin: computational studies
Q34124905How Can Hydrophobic Association Be Enthalpy Driven?
Q33526239Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains
Q35741123Hydrophobic association of alpha-helices, steric dewetting, and enthalpic barriers to protein folding
Q30367039Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.
Q30884368Inferring the microscopic surface energy of protein-protein interfaces from mutation data.
Q34455286Interfaces and the driving force of hydrophobic assembly
Q45971050Intra-chain organisation of hydrophobic residues controls inter-chain aggregation rates of amphiphilic polymers.
Q42596139Mechanical properties of the icosahedral shell of southern bean mosaic virus: a molecular dynamics study
Q50878396Modification of Sodium Release Using Porous Corn Starch and Lipoproteic Matrix.
Q35292798Molecular dynamics simulation studies of caffeine aggregation in aqueous solution
Q36639543Molecular dynamics simulations of alanine rich beta-sheet oligomers: Insight into amyloid formation
Q41851677Molecular dynamics simulations of highly crowded amino acid solutions: comparisons of eight different force field combinations with experiment and with each other
Q44872029Molecular recognition mechanism of peptide chain bound to the tRNA(Lys3) anticodon loop in silico
Q33453280Molecular recognition of hydrocarbon guests by a supramolecular capsule formed by the 4:4 self-assembly of tris(Zn(2+)-cyclen) and trithiocyanurate in aqueous solution
Q41610718Multiscale geometric modeling of macromolecules II: Lagrangian representation.
Q48051566Nonpolar Solvation Free Energy from Proximal Distribution Functions
Q24523641Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them
Q52013462Novel computer program for fast exact calculation of accessible and molecular surface areas and average surface curvature.
Q47694416Peptide Solubility Limits: Backbone and Side-Chain Interactions
Q41909909Peptide aggregation in finite systems
Q48470969Potential energy surface and second virial coefficient of methane-water from ab initio calculations
Q33906784Predicting Molecular Crowding Effects in Ion-RNA Interactions
Q33338632Prediction of structural stability of short beta-hairpin peptides by molecular dynamics and knowledge-based potentials
Q64092514Probing the Solute-Solvent Interaction of an Azo-Bonded Prodrug in Neat and Binary Media: Combined Experimental and Computational Study
Q89503448Rationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale Approach
Q33766776Real-time monitoring of hydrophobic aggregation reveals a critical role of cooperativity in hydrophobic effect
Q38412711Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.
Q51107112Reversible state transition in nanoconfined aqueous solutions.
Q50691129Review of the sixth Annual Johns Hopkins Folding Meeting.
Q38270623Side-chain conformational entropy at protein-protein interfaces.
Q92859053Susceptibility of oral bacteria to antibacterial photodynamic therapy
Q46564667Systematic derivation of implicit solvent models for the study of polymer collapse
Q38075757The new view of hydrophobic free energy
Q28828746Towards a structural biology of the hydrophobic effect in protein folding
Q46378106Water structuring above solutes with planar hydrophobic surfaces
Q30477145cAMP Modulation of the cytoplasmic domain in the HCN2 channel investigated by molecular simulations
Q35555444iMOT: an interactive package for the selection of spatially interacting motifs

Search more.