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Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2
Online Contents | 2015|Keywords: force-fields -
Ab initio parameterization of YFF1, a universal force field for drug-design applications
Online Contents | 2011|Keywords: Force fields -
SAFT-[gamma] force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range
Online Contents | 2015|Keywords: force fields -
Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function
Online Contents | 2010|Keywords: Force fields -
Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function
Online Contents | 2010|Keywords: Force fields -
Stroke Survivors Control the Temporal Structure of Variability During Reaching in Dynamic Environments
Online Contents | 2012|Keywords: Force fields -
Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms
Online Contents | 2018|Keywords: Molecular mechanics force fields -
Understanding and Designing the Gold–Bio Interface: Insights from Simulations
Online Contents | 2016|Keywords: force fields -
Determination of the tautomeric structures of uracil thiosubstituted derivatives by IR and RRS spectroscopy
Online Contents | 2007|Keywords: force fields -
Test of molecular dynamics force fields in gramicidin A
Online Contents | 2005|Keywords: Force fields -
Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations
Online Contents | 2021|Keywords: Force fields -
Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics
Online Contents | 2014|Keywords: Polarizable force fields -
Asymptotic stability conditions for a class of hybrid mechanical systems with switched nonlinear positional forces
Online Contents | 2015|Keywords: Switched force fields -
Asymptotic stability conditions for a class of hybrid mechanical systems with switched nonlinear positional forces
Online Contents | 2015|Keywords: Switched force fields -
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules
Free accessOnline Contents | 2023|Keywords: Force fields -
Stroke Survivors Control the Temporal Structure of Variability During Reaching in Dynamic Environments
Online Contents | 2012|Keywords: Force fields -
Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
Free accessOnline Contents | 2012|Keywords: Force fields
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