Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
March 15, 2023
Influence of the Lennard-Jones Combination Rules on the Simulated Properties of Organic Liquids at Optimal Force-Field Parametrization
Marina P Oliveira, Philippe H Hünenberger
Journal of Molecular Graphics & Modelling
|
October 17, 2022
Force fields optimized against experimental data for large compound families using CombiFF: Validation considering non-target properties and polyfunctional compounds
Marina P Oliveira, Philippe H Hünenberger
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2021
Systematic optimization of a fragment-based force field against experimental pure-liquid properties considering large compound families: application to oxygen and nitrogen compounds
Marina P Oliveira, Philippe H Hünenberger
Journal of Cheminformatics
|
January 22, 2023
Development of an open-source software for isomer enumeration
Salomé R Rieder, Marina P Oliveira, Sereina Riniker, et al.
Journal of Computational Chemistry
|
February 8, 2022
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm
Yan M H Gonçalves, Sadra Kashefolgheta, Marina P Oliveira, et al.
Journal of Chemical Theory and Computation
|
November 4, 2020
Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies
Sadra Kashefolgheta, Marina P Oliveira, Salomé R Rieder, et al.
Journal of Chemical Theory and Computation
|
October 3, 2022
Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set
Marina P Oliveira, Yan M H Gonçalves, S Kashef Ol Gheta, et al.
Journal of Chemical Theory and Computation
|
November 24, 2020
Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes
Marina P Oliveira, Maurice Andrey, Salomé R Rieder, et al.
Plos One
|
August 11, 2016
Prevalence, Risk Behaviors, and Virological Characteristics of Hepatitis B Virus Infection in a Group of Men Who Have Sex with Men in Brazil: Results from a Respondent-Driven Sampling Survey
Marina P Oliveira, Márcia A D Matos, Ágabo M C Silva, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
March 15, 2023
Influence of the Lennard-Jones Combination Rules on the Simulated Properties of Organic Liquids at Optimal Force-Field Parametrization
Marina P Oliveira, Philippe H Hünenberger
Journal of Molecular Graphics & Modelling
|
October 17, 2022
Force fields optimized against experimental data for large compound families using CombiFF: Validation considering non-target properties and polyfunctional compounds
Marina P Oliveira, Philippe H Hünenberger
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2021
Systematic optimization of a fragment-based force field against experimental pure-liquid properties considering large compound families: application to oxygen and nitrogen compounds
Marina P Oliveira, Philippe H Hünenberger
Journal of Cheminformatics
|
January 22, 2023
Development of an open-source software for isomer enumeration
Salomé R Rieder, Marina P Oliveira, Sereina Riniker, et al.
Journal of Computational Chemistry
|
February 8, 2022
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm
Yan M H Gonçalves, Sadra Kashefolgheta, Marina P Oliveira, et al.
Journal of Chemical Theory and Computation
|
November 4, 2020
Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies
Sadra Kashefolgheta, Marina P Oliveira, Salomé R Rieder, et al.
Journal of Chemical Theory and Computation
|
October 3, 2022
Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set
Marina P Oliveira, Yan M H Gonçalves, S Kashef Ol Gheta, et al.
Journal of Chemical Theory and Computation
|
November 24, 2020
Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes
Marina P Oliveira, Maurice Andrey, Salomé R Rieder, et al.
Plos One
|
August 11, 2016
Prevalence, Risk Behaviors, and Virological Characteristics of Hepatitis B Virus Infection in a Group of Men Who Have Sex with Men in Brazil: Results from a Respondent-Driven Sampling Survey
Marina P Oliveira, Márcia A D Matos, Ágabo M C Silva, et al.
Page
of 1