Lista de obras -

A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations

artículo científico publicado en 2021

Application to large systems: general discussion

artículo científico publicado en 2016

Approximating free energy and committor landscapes in standard transition path sampling using virtual interface exchange

scientific article published on 01 November 2019

Equilibrium and non-equilibrium cluster phases in colloids with competing interactions

artículo científico publicado en 2014

Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement

artículo científico publicado en 2022

Foundations and latest advances in replica exchange transition interface sampling

artículo científico publicado en 2017

Molecular Understanding of Homogeneous Nucleation of CO<sub>2</sub> Hydrates Using Transition Path Sampling

artículo científico publicado en 2020

New methods: general discussion.

artículo científico publicado en 2016

Non-adiabatic reactions: general discussion

artículo científico publicado en 2016

Nonlinear reaction coordinate analysis in the reweighted path ensemble.

artículo científico publicado en 2010

OpenPathSampling: A Python framework for path sampling simulations. I. Basics

artículo científico publicado en 2018

OpenPathSampling: A Python framework for path sampling simulations. II. Building and customizing path ensembles and sample schemes

article

Ratchet-induced variations in bulk states of an active ideal gas

artículo científico publicado en 2018

Rate constants for proteins binding to substrates with multiple binding sites using a generalized forward flux sampling expression.

artículo científico publicado en 2018

Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble

scientific article published on 01 October 2011

Role of the prestructured surface cloud in crystal nucleation

artículo científico publicado en 2011

Stability and growth mechanism of self-assembling putative antifreeze cyclic peptides

artículo científico publicado en 2017

The magnitude of the intrinsic rate constant: How deep can association reactions be in the diffusion limited regime?

artículo científico publicado en 2017

The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids.

artículo científico publicado en 2017

The reweighted path ensemble

artículo científico publicado en 2010

Transition path sampling for non-equilibrium dynamics without predefined reaction coordinates

artículo científico publicado en 2020

Unbiased Atomistic Insight into the Mechanisms and Solvent Role for Globular Protein Dimer Dissociation

scientific article published on 27 February 2019

Unbiased atomistic insight in the competing nucleation mechanisms of methane hydrates

scientific article published on 09 September 2019

Lista de obras de

A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations

Application to large systems: general discussion

Approximating free energy and committor landscapes in standard transition path sampling using virtual interface exchange

Equilibrium and non-equilibrium cluster phases in colloids with competing interactions

Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement

Foundations and latest advances in replica exchange transition interface sampling

Molecular Understanding of Homogeneous Nucleation of CO<sub>2</sub> Hydrates Using Transition Path Sampling

New methods: general discussion.

Non-adiabatic reactions: general discussion

Nonlinear reaction coordinate analysis in the reweighted path ensemble.

OpenPathSampling: A Python framework for path sampling simulations. I. Basics

OpenPathSampling: A Python framework for path sampling simulations. II. Building and customizing path ensembles and sample schemes

Ratchet-induced variations in bulk states of an active ideal gas

Rate constants for proteins binding to substrates with multiple binding sites using a generalized forward flux sampling expression.

Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble

Role of the prestructured surface cloud in crystal nucleation

Stability and growth mechanism of self-assembling putative antifreeze cyclic peptides

The magnitude of the intrinsic rate constant: How deep can association reactions be in the diffusion limited regime?

The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids.

The reweighted path ensemble

Transition path sampling for non-equilibrium dynamics without predefined reaction coordinates

Unbiased Atomistic Insight into the Mechanisms and Solvent Role for Globular Protein Dimer Dissociation

Unbiased atomistic insight in the competing nucleation mechanisms of methane hydrates