UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7191-7198

Hatch, Harold W

2020

Volltextzugriff (PDF)

Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks

The journal of physical chemistry. B, 2024-05, Vol.128 (19), p.4830-4845

2024

Volltextzugriff (PDF)

Monte Carlo molecular simulations with FEASST version 0.25.1

The Journal of chemical physics, 2024-09, Vol.161 (9)

2024

Volltextzugriff (PDF)

Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles

The Journal of chemical physics, 2024-08, Vol.161 (8)

2024

Volltextzugriff (PDF)

Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption

The journal of physical chemistry. B, 2022-10, Vol.126 (40), p.7999-8009

2022

Volltextzugriff (PDF)

Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations

The journal of physical chemistry. B, 2023-04, Vol.127 (13), p.3041-3051

2023

Volltextzugriff (PDF)

pH response of sequence-controlled polyampholyte brushes

Soft matter, 2023-06, Vol.19 (23), p.4333-4344

2023

Volltextzugriff (PDF)

Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”

AIChE journal, 2022-08, Vol.68 (8), p.n/a

2022

Volltextzugriff (PDF)

Computational study of trimer self-assembly and fluid phase behavior

The Journal of chemical physics, 2015-04, Vol.142 (16), p.164901-164901

2015

Volltextzugriff (PDF)

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

The Journal of chemical physics, 2024-09, Vol.161 (9)

2024

Volltextzugriff (PDF)

Computational Study of the Stability of the Miniprotein Trp-Cage, the GB1 β‑Hairpin, and the AK16 Peptide, under Negative Pressure

The journal of physical chemistry. B, 2014-07, Vol.118 (28), p.7761-7769

2014

Volltextzugriff (PDF)

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density

The Journal of chemical physics, 2020-10, Vol.153 (14), p.144101-144101

2020

Volltextzugriff (PDF)

Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents

Journal of physical chemistry. C, 2020-07, Vol.124 (30), p.16350-16361

2020

Volltextzugriff (PDF)

Role of Domain–Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8344-8357

2023

Volltextzugriff (PDF)

FGFR2-Amplified Gastric Cancer Cell Lines Require FGFR2 and Erbb3 Signaling for Growth and Survival

Cancer research (Chicago, Ill.), 2008-04, Vol.68 (7), p.2340-2348

2008

Volltextzugriff (PDF)

Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Journal of pharmaceutical sciences, 2019-05, Vol.108 (5), p.1663-1674

2019

Volltextzugriff (PDF)

Natively Unfolded Protein Stability as a Coil-to-Globule Transition in Charge/Hydropathy Space

Journal of the American Chemical Society, 2008-07, Vol.130 (29), p.9536-9542

2008

Volltextzugriff (PDF)

Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING

ACS medicinal chemistry letters, 2019-01, Vol.10 (1), p.92-97

2019

Volltextzugriff (PDF)

Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles

The Journal of chemical physics, 2019-10, Vol.151 (14), p.144109-144109

2019

Volltextzugriff (PDF)

Predicting structural properties of fluids by thermodynamic extrapolation

The Journal of chemical physics, 2018-05, Vol.148 (19), p.194105-194105

2018

Volltextzugriff (PDF)

Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein–Protein Interactions Influenced by NaCl and Sucrose

Molecular pharmaceutics, 2024-09, Vol.21 (9), p.4553-4564

2024

Volltextzugriff (PDF)

Self-assembly of trimer colloids: effect of shape and interaction range

Soft matter, 2016-01, Vol.12 (18), p.4170-4179

2016

Volltextzugriff (PDF)

Assembly of three-dimensional binary superlattices from multi-flavored particles

Soft matter, 2018, Vol.14 (30), p.6303-6312

2018

Volltextzugriff (PDF)

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations

The Journal of chemical physics, 2017-12, Vol.147 (23), p.231102-231102

2017

Volltextzugriff (PDF)

Assembly of multi-flavored two-dimensional colloidal crystals

Soft matter, 2017-08, Vol.13 (32), p.5397-5408

2017

Volltextzugriff (PDF)

1 – 25 von 141

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(100)
Mit Volltextzugriff
(128)

Publikationsform

Sprache

Englisch
(138)

Erscheinungsjahr

n.n

Thema

Science & Technology
(75)
Physical Sciences
(54)
Physics
(49)
Chemistry
(36)
Chemistry, Physical
(27)
Technology
(27)
Materials Science
(24)
Exact Sciences And Technology
(23)
Materials Science, Multidisciplinary
(22)
Life Sciences & Biomedicine
(20)
Condensed Matter: Structure, Mechanical And Thermal Properties
(19)
Computer Simulation
(17)
Humans
(16)
Physics, Applied
(16)
Physics, Atomic, Molecular & Chemical
(15)
Physics, Condensed Matter
(15)
Crystalline State
(9)
Female
(9)
Structure Of Solids And Liquids; Crystallography
(9)
Animals
(8)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(4)

Menü

Weitere Dienste

Einstellungen

Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations

Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks

Monte Carlo molecular simulations with FEASST version 0.25.1

Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles

Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption

Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations

pH response of sequence-controlled polyampholyte brushes

Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”

Computational study of trimer self-assembly and fluid phase behavior

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

Computational Study of the Stability of the Miniprotein Trp-Cage, the GB1 β‑Hairpin, and the AK16 Peptide, under Negative Pressure

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density

Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents

Role of Domain–Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt

FGFR2-Amplified Gastric Cancer Cell Lines Require FGFR2 and Erbb3 Signaling for Growth and Survival

Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions

Natively Unfolded Protein Stability as a Coil-to-Globule Transition in Charge/Hydropathy Space

Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING

Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles

Predicting structural properties of fluids by thermodynamic extrapolation

Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein–Protein Interactions Influenced by NaCl and Sucrose

Self-assembly of trimer colloids: effect of shape and interaction range

Assembly of three-dimensional binary superlattices from multi-flavored particles

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations

Assembly of multi-flavored two-dimensional colloidal crystals

Suchergebnisse filtern