Filtros de búsqueda

Lista de obras de

Classical Description of the Vibrational Spectroscopy, Structure, and Electrostatics of the Halide Solvation Shell with the POLIR Potential

scientific article published on 18 February 2015

Classical molecular electrostatics: recognition of ligands in proteins and the vibrational Stark effect

artículo científico publicado en 2006

Classical simulations with the POLIR potential describe the vibrational spectroscopy and energetics of hydration: divalent cations, from solvation to coordination complex

artículo científico publicado en 2011

Communication: Iteration-free, weighted histogram analysis method in terms of intensive variables ⬇️

artículo científico publicado el 14 de agosto de 2011

Divergences in the amplitudes of the "long-time tails"

artículo científico publicado en 1984

Enhanced Sampling of Phase Transitions in Coarse-Grained Lipid Bilayers.

artículo científico publicado en 2017

Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

artículo científico publicado en 2015

Extending classical molecular theory with polarization

scientific article published on 23 December 2010

Generalized replica exchange method

artículo científico publicado en 2010

Induction model for molecular electrostatics: application to the infrared spectroscopy of CO liquid

artículo científico publicado en 2006

Influence of Go-like interactions on global shapes of energy landscapes in beta-barrel forming model proteins: inherent structure analysis and statistical temperature molecular dynamics simulation

article

Inherent structure analysis of protein folding

artículo científico publicado en 2007

Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium

artículo científico publicado en 2015

Limit of metastability for liquid and vapor phases of water.

artículo científico publicado en 2014

Lipid Packing in Lipid-Wrapped Nanoparticles

scientific article published on 21 June 2018

Macromolecular Systems Understood through Multiscale and Enhanced Sampling Techniques ⬇️

artículo científico publicado el 26 de julio de 2012

Membrane Fluidity Sensing on the Single Virus Particle Level with Plasmonic Nanoparticle Transducers.

artículo científico publicado en 2017

Membrane-wrapped nanoparticles probe divergent roles of GM3 and phosphatidylserine in lipid-mediated viral entry pathways

article published in the Proceedings of the National Academy of Sciences of the United States of America

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

artículo científico publicado en 2021

Multiple branched adaptive steered molecular dynamics

artículo científico publicado en 2014

POLIR: polarizable, flexible, transferable water potential optimized for IR spectroscopy

artículo científico publicado en 2008

Pathways through Equilibrated States with Coexisting Phases for Gas Hydrate Formation

artículo científico publicado en 2015

Protein folding and confinement: inherent structure analysis of chaperonin action

artículo científico publicado en 2010

Relationship between protein folding thermodynamics and the energy landscape

artículo científico publicado en 2009

Replica Exchange Statistical Temperature Molecular Dynamics Algorithm ⬇️

artículo científico publicado el 15 de mayo de 2012

Replica exchange statistical temperature Monte Carlo

scientific article published on March 2009

Simulation of fluid/gel phase equilibrium in lipid vesicles

scientific article published on 07 October 2019

Statistical temperature molecular dynamics: application to coarse-grained beta-barrel-forming protein models

artículo científico publicado en 2007

Statistical-temperature Monte Carlo and molecular dynamics algorithms

artículo científico publicado en 2006

Structure optimization and folding mechanisms of off-lattice protein models using statistical temperature molecular dynamics simulation: Statistical temperature annealing

artículo científico publicado en 2007

The relation between the structure of the first solvation shell and the IR spectra of aqueous solutions

artículo científico publicado en 2011

Water Freezing and Ice Melting

artículo científico publicado en 2015

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda