UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 1.785

Sortiert nach

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

Nucleic acids research, 2004-07, Vol.32 (Web Server issue), p.W665

2004

Link zum Volltext

Verfügbarkeit prüfen

Implementation of accelerated molecular dynamics in NAMD

Computational science & discovery, 2011-01, Vol.4 (1), p.015002-1-10

2011

Link zum Volltext

Verfügbarkeit prüfen

Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models

Physical review letters, 2006-03, Vol.96 (8), p.087802-087802, Article 087802

2006

Link zum Volltext

Verfügbarkeit prüfen

Coupling nonpolar and polar solvation free energies in implicit solvent models

The Journal of chemical physics, 2006-02, Vol.124 (8), p.084905-084905-12

2006

Link zum Volltext

Verfügbarkeit prüfen

Computing the Amino Acid Specificity of Fluctuations in Biomolecular Systems

Journal of chemical theory and computation, 2006-05, Vol.2 (3), p.873-878

2006

Link zum Volltext

Verfügbarkeit prüfen

Electrostatic properties of cowpea chlorotic mottle virus and cucumber mosaic virus capsids

Biopolymers, 2006-06, Vol.82 (2), p.106-120

2006

Link zum Volltext

Verfügbarkeit prüfen

Prediction of Ph-dependent Properties of Proteins

Journal of molecular biology, 1994-05, Vol.238 (3), p.415-436

1994

Link zum Volltext

Verfügbarkeit prüfen

Developing a Dynamic Pharmacophore Model for HIV-1 Integrase

Journal of medicinal chemistry, 2000-06, Vol.43 (11), p.2100-2114

2000

Link zum Volltext

Verfügbarkeit prüfen

Substrate concentration dependence of the diffusion-controlled steady-state rate constant

The Journal of chemical physics, 2005-05, Vol.122 (18), p.184902-184902

2005

Link zum Volltext

Verfügbarkeit prüfen

Optimizing the Poisson Dielectric Boundary with Explicit Solvent Forces and Energies: Lessons Learned with Atom-Centered Dielectric Functions

Journal of chemical theory and computation, 2007-01, Vol.3 (1), p.170-183

2007

Link zum Volltext

Verfügbarkeit prüfen

Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

Biophysical chemistry, 1999-04, Vol.78 (1), p.69-88

1999

Link zum Volltext

Verfügbarkeit prüfen

Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling

The Journal of chemical physics, 2015-09, Vol.143 (9), p.094103-094103

2015

Link zum Volltext

Verfügbarkeit prüfen

RPYFMM: Parallel adaptive fast multipole method for Rotne–Prager–Yamakawa tensor in biomolecular hydrodynamics simulations

Computer physics communications, 2018-06, Vol.227, p.99-108

2018

Link zum Volltext

Verfügbarkeit prüfen

Electrostatics of Nanosystems: Application to Microtubules and the Ribosome

Proceedings of the National Academy of Sciences - PNAS, 2001-08, Vol.98 (18), p.10037-10041

2001

Link zum Volltext

Verfügbarkeit prüfen

Separation-shifted scaling, a new scaling method for Lennard-Jones interactions in thermodynamic integration

The Journal of chemical physics, 1994-06, Vol.100 (12), p.9025-9031

1994

Link zum Volltext

Verfügbarkeit prüfen

Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase

Science (American Association for the Advancement of Science), 1994-03, Vol.263 (5151), p.1276-1278

1994

Link zum Volltext

Verfügbarkeit prüfen

A minimal model for stabilization of biomolecules by hydrocarbon cross-linking

The Journal of chemical physics, 2006-04, Vol.124 (16), p.164907-164907

2006

Link zum Volltext

Verfügbarkeit prüfen

Finite-element estimation of protein-ligand association rates with post-encounter effects: applications to calcium binding in troponin C and SERCA

Computational science & discovery, 2012-10, Vol.5 (1), p.14015-1-20

2012

Link zum Volltext

Verfügbarkeit prüfen

Dewetting-controlled binding of ligands to hydrophobic pockets

Physical review letters, 2009-10, Vol.103 (18), p.187801-187801, Article 187801

2009

Link zum Volltext

Verfügbarkeit prüfen

Active Site Binding Modes of HIV-1 Integrase Inhibitors

Journal of medicinal chemistry, 2000-11, Vol.43 (22), p.4109-4117

2000

Link zum Volltext

Verfügbarkeit prüfen

Multiconfiguration thermodynamic integration

The Journal of chemical physics, 1991-07, Vol.95 (2), p.1175-1188

1991

Link zum Volltext

Verfügbarkeit prüfen

Computational Alchemy

Annual review of physical chemistry, 1992-01, Vol.43 (1), p.407-435

1992

Link zum Volltext

Verfügbarkeit prüfen

Ordered Water and Ligand Mobility in the HIV-1 Integrase-5CITEP Complex: A Molecular Dynamics Study

Journal of medicinal chemistry, 2001-09, Vol.44 (19), p.3043-3047

2001

Link zum Volltext

Verfügbarkeit prüfen

Erratum: "Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation" [J. Chem. Phys. 140, 174106 (2014)]

The Journal of chemical physics, 2015-03, Vol.142 (10), p.109902-109902

2015

Link zum Volltext

Verfügbarkeit prüfen

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

The Journal of chemical physics, 2014-05, Vol.140 (17), p.174106-174106

2014

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 1.785

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(1.597)
Mit Volltextzugriff
(1.617)

Publikationsform

2 weitere anzeigen...

Weniger anzeigen...

Sprache

Englisch
(1.776)
Japanisch
(316)
Deutsch
(4)
Russisch
(2)
Paschtu
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(1.106)
Physical Sciences
(547)
Life Sciences & Biomedicine
(526)
Chemistry
(336)
Physics
(328)
Humans
(273)
Biochemistry & Molecular Biology
(267)
Models, Molecular
(263)
Protein Conformation
(198)
Computer Simulation
(196)
Chemistry, Physical
(191)
Biophysics
(169)
Binding Sites
(164)
Thermodynamics
(164)
Biological And Medical Sciences
(154)
Technology
(147)
Physics, Atomic, Molecular & Chemical
(145)
Molecular Dynamics
(141)
Proteins
(140)
Molecular Dynamics Simulation
(130)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

Implementation of accelerated molecular dynamics in NAMD

Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models

Coupling nonpolar and polar solvation free energies in implicit solvent models

Computing the Amino Acid Specificity of Fluctuations in Biomolecular Systems

Electrostatic properties of cowpea chlorotic mottle virus and cucumber mosaic virus capsids

Prediction of Ph-dependent Properties of Proteins

Developing a Dynamic Pharmacophore Model for HIV-1 Integrase

Substrate concentration dependence of the diffusion-controlled steady-state rate constant

Optimizing the Poisson Dielectric Boundary with Explicit Solvent Forces and Energies: Lessons Learned with Atom-Centered Dielectric Functions

Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling

RPYFMM: Parallel adaptive fast multipole method for Rotne–Prager–Yamakawa tensor in biomolecular hydrodynamics simulations

Electrostatics of Nanosystems: Application to Microtubules and the Ribosome

Separation-shifted scaling, a new scaling method for Lennard-Jones interactions in thermodynamic integration

Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase

A minimal model for stabilization of biomolecules by hydrocarbon cross-linking

Finite-element estimation of protein-ligand association rates with post-encounter effects: applications to calcium binding in troponin C and SERCA

Dewetting-controlled binding of ligands to hydrophobic pockets

Active Site Binding Modes of HIV-1 Integrase Inhibitors

Multiconfiguration thermodynamic integration

Computational Alchemy

Ordered Water and Ligand Mobility in the HIV-1 Integrase-5CITEP Complex: A Molecular Dynamics Study

Erratum: "Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation" [J. Chem. Phys. 140, 174106 (2014)]

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

Suchergebnisse filtern