| scholarly article | Q13442814 |
| P819 | ADS bibcode | 1993PNAS...90.9135S |
| P356 | DOI | 10.1073/PNAS.90.19.9135 |
| P8608 | Fatcat ID | release_tqmpr3hrovgn3kxuhynpryf3oi |
| P932 | PMC publication ID | 47516 |
| P698 | PubMed publication ID | 8415667 |
| P5875 | ResearchGate publication ID | 14782976 |
| P2093 | author name string | Brooks BR | |
| Steinbach PJ | |||
| P2860 | cites work | X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 A resolution | Q27728956 |
| The interpretation of protein structures: Estimation of static accessibility | Q27860750 | ||
| Environment and exposure to solvent of protein atoms. Lysozyme and insulin | Q28245387 | ||
| Accurate simulation of protein dynamics in solution | Q33654761 | ||
| Temperature dependence of dynamics of hydrated myoglobin. Comparison of force field calculations with neutron scattering data | Q34153860 | ||
| Dynamical transition of myoglobin revealed by inelastic neutron scattering | Q34561692 | ||
| Protein hydration and function | Q37778378 | ||
| Thermal properties of water in myoglobin crystals and solutions at subzero temperatures | Q41154024 | ||
| Protein-water interactions. Heat capacity of the lysozyme-water system | Q41607537 | ||
| Protein solvation in allosteric regulation: a water effect on hemoglobin | Q52421558 | ||
| Investigation of large intramolecular movement within metmyoglobin by Rayleigh scattering of Mössbauer radiation (RSMR). | Q52434790 | ||
| Crystalline ribonuclease A loses function below the dynamical transition at 220 K | Q59062402 | ||
| Dynamics of ligand binding to myoglobin | Q67337334 | ||
| Thermal expansion of a protein | Q69780357 | ||
| Hydration mobility in peptide structures | Q70494988 | ||
| Protein dynamics in solution and in a crystalline environment: a molecular dynamics study | Q72669735 | ||
| P4510 | describes a project that uses | molecular dynamics simulation | Q901663 |
| P433 | issue | 19 | |
| P407 | language of work or name | English | Q1860 |
| P1104 | number of pages | 5 | |
| P304 | page(s) | 9135-9139 | |
| P577 | publication date | 1993-10-01 | |
| P1433 | published in | Proceedings of the National Academy of Sciences of the United States of America | Q1146531 |
| P1476 | title | Protein hydration elucidated by molecular dynamics simulation | |
| P478 | volume | 90 |
| Q52271945 | A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin. |
| Q34494894 | A solvated ligand rotamer approach and its application in computational protein design |
| Q30670737 | A unified picture of protein hydration: prediction of hydrodynamic properties from known structures |
| Q39980398 | Absolute free energy and entropy of a mobile loop of the enzyme acetylcholinesterase |
| Q30374901 | Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. |
| Q46888565 | An enzyme-initiated Smiles rearrangement enables the development of an assay of MshB, the GlcNAc-Ins deacetylase of mycothiol biosynthesis |
| Q58698902 | Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein |
| Q41111037 | As MAD as can be. |
| Q34466127 | Biomolecular folding in vacuo!!!(?) |
| Q36795615 | Calculation of translational friction and intrinsic viscosity. II. Application to globular proteins |
| Q51494597 | Capture CO2 from Ambient Air Using Nanoconfined Ion Hydration. |
| Q41889352 | Casein micelle dispersions under osmotic stress. |
| Q47948840 | Characterizing global substates of myoglobin |
| Q40224750 | Computer simulations of carbon monoxide photodissociation in myoglobin: structural interpretation of the B states. |
| Q44949196 | Correlation times and adiabatic barriers for methyl rotation in SNase |
| Q30478855 | Decomposition of protein experimental compressibility into intrinsic and hydration shell contributions |
| Q34174903 | Dynamical view of the positions of key side chains in protein-protein recognition |
| Q30880116 | Dynamics of Ca2+-saturated calmodulin D129N mutant studied by multiple molecular dynamics simulations |
| Q30175214 | Dynamics of the Hck-SH3 domain: comparison of experiment with multiple molecular dynamics simulations |
| Q28142746 | Effective energy function for proteins in solution |
| Q36538228 | Effects of surface water on protein dynamics studied by a novel coarse-grained normal mode approach |
| Q42180577 | Entropy and Free Energy of a Mobile Loop Based on the Crystal Structures of the Free and Bound Proteins |
| Q42140475 | Entropy and free energy of a mobile protein loop in explicit water |
| Q57907398 | Excitons in a photosynthetic light-harvesting system: A combined molecular dynamics, quantum chemistry, and polaron model study |
| Q57155681 | Gas-phase H/D exchange and collision cross sections of hemoglobin monomers, dimers, and tetramers |
| Q37329883 | Glass transition in DNA from molecular dynamics simulations |
| Q33597388 | Hydrated myoglobin's anharmonic fluctuations are not primarily due to dihedral transitions |
| Q42843186 | Hydration dependent studies of highly aligned multilayer lipid membranes by neutron scattering. |
| Q34341763 | Hydration of gas-phase ions formed by electrospray ionization |
| Q27639591 | Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: on the correlation between crystal water sites, solvent density, and solvent dipole |
| Q30574134 | Hydration-coupled dynamics in proteins studied by neutron scattering and NMR: the case of the typical EF-hand calcium-binding parvalbumin |
| Q35132447 | Implementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of myoglobin. |
| Q37008245 | Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics |
| Q30424772 | Internal molecular motions of bacteriorhodopsin: hydration-induced flexibility studied by quasielastic incoherent neutron scattering using oriented purple membranes. |
| Q58891773 | Jones-Ray effect on the organization of lysozyme in the presence of NaNO3 at an air/water interface: is it a cause or consequence? |
| Q52251380 | Ligand-induced conformational changes in ras p21: a normal mode and energy minimization analysis. |
| Q42581561 | Lone pair ... pi interactions between water oxygens and aromatic residues: quantum chemical studies based on high-resolution protein structures and model compounds |
| Q79160499 | MD simulation of a plastocyanin mutant adsorbed onto a gold surface |
| Q33915335 | Measurement of coherent Debye-Waller factor in in vivo deuterated C-phycocyanin by inelastic neutron scattering |
| Q41812957 | Minimalist explicit solvation models for surface loops in proteins |
| Q36675200 | Modeling heme proteins using atomistic simulations |
| Q30476755 | Molecular dynamics of a protein surface: ion-residues interactions |
| Q28347834 | Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants |
| Q73822172 | Molecular dynamics study on lipid A from Escherichia coli: insights into its mechanism of biological action |
| Q36472758 | Molecular dynamics: survey of methods for simulating the activity of proteins |
| Q47611437 | Non-Gaussian statistics of the vibrational fluctuations of myoglobin |
| Q36864948 | Normal-mode analysis of the glycine alpha1 receptor by three separate methods |
| Q34168581 | Nucleotide-dependent movements of the kinesin motor domain predicted by simulated annealing. |
| Q43725170 | On the formation of radical dications of protonated amino acids in a "microsolution" of water or acetonitrile and their reactivity towards the solvent. |
| Q40308358 | Origin of mechanical strength of bovine carbonic anhydrase studied by molecular dynamics simulation |
| Q33639198 | Origin of slow relaxation following photoexcitation of W7 in myoglobin and the dynamics of its hydration layer |
| Q33907732 | Predicting the structure of apolipoprotein A-I in reconstituted high-density lipoprotein disks |
| Q33907859 | Pressure effects on the proximal heme pocket in myoglobin probed by Raman and near-infrared absorption spectroscopy |
| Q62733686 | Protein flexibility in solution and in crystals |
| Q42705807 | Role of mg2+ in chromomycin a3 - DNA interaction: a molecular modeling study |
| Q42933677 | Role of water on unfolding kinetics of helical peptides studied by molecular dynamics simulations |
| Q57096320 | Secondary structural analysis of proteins based on (13)C chemical shift assignments in unresolved solid-state NMR spectra enhanced by fragmented structure database |
| Q36203103 | Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields |
| Q34068734 | Significance of bound water to local chain conformations in protein crystals. |
| Q34040942 | Solvation, water permeation, and ionic selectivity of a putative model for the pore region of the voltage-gated sodium channel. |
| Q33907127 | Stability and dynamics of G-actin: back-door water diffusion and behavior of a subdomain 3/4 loop |
| Q35685215 | Status of experiments probing the dynamics of water in confinement |
| Q57134535 | Structural details, pathways, and energetics of unfolding apomyoglobin |
| Q32067796 | Structure and dynamics of calmodulin in solution. |
| Q46037937 | Structure and dynamics of reverse micelles containing supercooled water investigated by neutron scattering. |
| Q36704212 | Structure and dynamics of the water around myoglobin |
| Q35861009 | Structure, dynamics and reactions of protein hydration water |
| Q44577065 | Temperature-dependent behavior of protein-chromophore interactions: a theoretical study of a blue fluorescent antibody |
| Q51132010 | The Effect of Moisture on the Hydrolysis of Basic Salts. |
| Q44584954 | The effect of complex solvents on the structure and dynamics of protein solutions: The case of Lysozyme in trehalose/water mixtures |
| Q58342423 | The effect of myoglobin crowding on the dynamics of water: an infrared study |
| Q28268227 | The origin of protein sidechain order parameter distributions |
| Q78167767 | The polymer basis of kinetics and equilibria of enzymes: the accessible-volume origin of entropy changes in a class Abeta-lactamase |
| Q77230067 | The protein state of matter |
| Q42148725 | Theoretical study of HOCl-catalyzed keto-enol tautomerization of β-cyclopentanedione in an explicit water environment |
| Q28769324 | Thermal fluctuations between conformational substates of the Fe(2+)-HisF8 linkage in deoxymyoglobin probed by the Raman active Fe-N epsilon (HisF8) stretching vibration |
| Q51039120 | Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: a steered molecular dynamics simulation route. |
| Q51646497 | Towards molecular dynamics simulation of large proteins with a hydration shell at constant pressure. |
| Q40252581 | Translational hydration water dynamics drives the protein glass transition |
| Q30834929 | Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations |
| Q52076692 | Viscosity analysis of the temperature dependence of the solution conformation of ovalbumin. |
| Q42128177 | Water-coupled low-frequency modes of myoglobin and lysozyme observed by inelastic neutron scattering |
| Q74685030 | Water-silica gel interactions, X-ray diffraction study at room and low temperature |
| Q27620275 | X-ray crystal structures of a severely desiccated protein |
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