Meinten Sie: keywords:("force field")
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Tautomers and reference 3D-structures: the orphans of in silico drug design
Online Contents | 2010|Schlagwörter: Force fields -
Opening mechanism of adenylate kinase can vary according to selected molecular dynamics force field
Online Contents | 2015|Schlagwörter: Force fields -
SAFT-γ 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|Schlagwörter: force fields -
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
Online Contents | 2016|Schlagwörter: Polarizable force fields -
Let’s get honest about sampling
Online Contents | 2011|Schlagwörter: Force fields and molecular simulations -
Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory
Online Contents | 2014|Schlagwörter: Force fields -
Peptide Folding Problem: A Molecular Dynamics Study on Polyalanines Using Different Force Fields
Online Contents | 2012|Schlagwörter: Force fields -
Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters
Online Contents | 2021|Schlagwörter: Force fields -
Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2
Online Contents | 2015|Schlagwörter: 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|Schlagwörter: force fields -
Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function
Online Contents | 2010|Schlagwörter: Force fields -
Test of molecular dynamics force fields in gramicidin A
Online Contents | 2005|Schlagwörter: Force fields -
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules
Freier ZugriffOnline Contents | 2023|Schlagwörter: Force fields -
Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
Freier ZugriffOnline Contents | 2012|Schlagwörter: Force fields -
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations
Online Contents | 2021|Schlagwörter: Benchmarking force fields -
Test of molecular dynamics force fields in gramicidin A
Online Contents | 2005|Schlagwörter: Force fields -
Rovibrational and energetic analysis of the hydroxyethynyl anion (CCOH−)
Online Contents | 2015|Schlagwörter: quartic force fields -
Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility
Online Contents | 2016|Schlagwörter: force fields -
Minimally corrected partial atomic charges for non-covalent electrostatic interactions
Online Contents | 2017|Schlagwörter: force fields -
Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
Online Contents | 2012|Schlagwörter: Force fields -
Modeling discrete and rhythmic movements through motor primitives: a review
Online Contents | 2010|Schlagwörter: Force fields -
The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years
Online Contents | 2012|Schlagwörter: Force fields -
Adaptation and generalization in acceleration-dependent force fields
Online Contents | 2005|Schlagwörter: Force fields -
Modeling discrete and rhythmic movements through motor primitives: a review
Online Contents | 2010|Schlagwörter: Force fields -
Does the motor control system use multiple models and context switching to cope with a variable environment?
Online Contents | 2002|Schlagwörter: Force fields -
Dissociable effects of the implicit and explicit memory systems on learning control of reaching
Online Contents | 2006|Schlagwörter: Force fields -
Evaluation of robotic training forces that either enhance or reduce error in chronic hemiparetic stroke survivors
Online Contents | 2005|Schlagwörter: Force fields -
Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?
Online Contents | 2018|Schlagwörter: Force fields: force field derivation -
Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics
Online Contents | 2018|Schlagwörter: Force fields
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