On the Determination of Molecular Fields. II. From the Equation of State of a Gas
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Continuum molecular simulation of large conformational changes during ion-channel gatingA Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.Toward a Philosophy and Theory of Volumetric Nonthermal Processing.Charge density analysis for crystal engineering.Atmospheric pressure PECVD nanoparticles: mechanism of nanoparticle self-organisation into micron sized fractal clusters on a solid surface.In silico design of BACE1 inhibitor for Alzheimer's disease by traditional Chinese medicine.Computational design of apolipoprotein E4 inhibitors for Alzheimer's disease therapy from traditional Chinese medicine.Computational protocols for prediction of solute NMR relative chemical shifts. a case study of L-tryptophan in aqueous solution.Assembly of diblock copolymer functionalized spherical nanoparticles as a function of copolymer composition.Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulations.Collective ordering of microscale matters in natural analogy.Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA.Direct calculation of ice homogeneous nucleation rate for a molecular model of water.Unraveling Cold Molecular Collisions: Stark Decelerators in Crossed-Beam Experiments.Force fields for simulating the interaction of surfaces with biological moleculesOn the role of steric clashes in methylation control of restriction endonuclease activity.Modelling platelet-blood flow interaction using the subcellular element Langevin method.Gaining insight into the physics of dynamic atomic force microscopy in complex environments using the VEDA simulator.Non-covalent interactions in anisole-(CO2)n (n = 1, 2) complexes.Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review.Predictive models of gas sorption in a metal-organic framework with open-metal sites and small pore sizes.Computational methodology for solubility prediction: Application to the sparingly soluble solutes.Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra.Influence of the Sonication Temperature on the Debundling Kinetics of Carbon Nanotubes in Propan-2-ol.State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.Modeling asymmetric cavity collapse with plasma equations of state.Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O(+) and their dependence on the three-body interaction.Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand.Transcriptional regulatory network shapes the genome structure of Saccharomyces cerevisiae.Self-assembly of a parallelogram black phosphorus ribbon into a nanotube.Investigating gas sorption in an rht-metal-organic framework with 1,2,3-triazole groups.Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation.Perturbation theory for multipolar discrete fluids.Incomplete mixing versus clathrate-like structures: a molecular view on hydrophobicity in methanol-water mixtures.Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.Communication: Low-temperature approximation of the virial series for the Lennard-Jones and modified Lennard-Jones models.A constitutive framework for the non-Newtonian pressure tensor of a simple fluid under planar flows.Multistage structural evolution in simple monatomic supercritical fluids: superstable tetrahedral local order.
P2860
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P2860
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
description
im Oktober 1924 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 1924
@uk
name
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@en
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@nl
type
label
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@en
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@nl
prefLabel
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@en
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@nl
P356
P1476
On the Determination of Molecular Fields. II. From the Equation of State of a Gas
@en
P2093
J. E. Jones
P304
P356
10.1098/RSPA.1924.0082
P577
1924-10-01T00:00:00Z