Skip to search formSkip to main contentSkip to account menu

OPLS

The OPLS (Optimized Potentials for Liquid Simulations) force field was developed by Prof. William L. Jorgensen at Purdue University and later at Yale… 
Wikipedia (opens in a new tab)

Related topics

Related topics

16 relations
AbaloneAscalaph DesignerAssisted Model Building with Energy Refinement (AMBER)Biochemical and Organic Simulation System

Broader (2)

Computational chemistryMolecular dynamics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
Exploring asthenozoospermia seminal plasma amino acid disorder based on GC-SIM-MS combined with chemometrics methods
Asthenozoospermia is a common cause of male infertility. 
2017
2017
A novel framework for parsimonious multivariate analysis
2017
2017
Recent results on key performance indicator oriented fault detection using the DB-KIT toolbox
A new MATLAB toolbox DB-KIT was recently developed for the design and implementation of fault diagnosis systems. For the purpose… 
2015
2015
Direct design approach to calculate a two-surface lens with an entrance pupil for application in wide field-of-view imaging
Abstract. In this work, a multifields optical design method aiming to calculate two high-order aspheric lens profiles with an… 
2015
2015
Simultaneous Multi-angle Observations of Strong Langmuir Turbulence at HAARP
AbstractWe report results from a recent series of experiments employing the HF transmitter of the High Frequency Active Auroral… 
2014
2014
How does the electronic continuum model perform in the prediction of the surface tension of salt solutions
2013
2013
Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud
Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source… 
2012
2012
An experimental VLT cryo-cooler instrumentation vibration analysis
Cryo-coolers are widely used to provide the required temperature levels of ESO’s VLT instrumentation suite, mainly for infrared… 
2005
2005
Computational Chemistry Study of Solvents for Carbon Dioxide Absorption
Absorption with aqueous amine solvents is at present the most viable technology for CO2 capture. While this is a proven… 
2005
2005
Prediction of wood species and pulp brightness from roundwood measurements
This thesis presents a number of studies, where a multivariate approach was taken to construct models that predict wood species… 
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)