Lista de obras - Konrad Hinsen - Dominio Público Uruguay

A Dream of Simplicity: Scientific Computing on Turing Machines

A Glimpse of the Future of Scientific Programming

A carrot not a stick

artículo científico publicado en 2019

A comparison of reduced coordinate sets for describing protein structure.

artículo científico publicado en 2013

A data and code model for reproducible research and executable papers

article

A path-integral Langevin equation treatment of low-temperature doped helium clusters

artículo científico publicado en 2012

A scientific model for free will is impossible

artículo científico publicado en 2010

ActivePapers: a platform for publishing and archiving computer-aided research

artículo científico publicado en 2014

Analysis of domain motions by approximate normal mode calculations

artículo científico publicado en 1998

Analysis of domain motions in large proteins

artículo científico publicado en 1999

Analysis of low-frequency motions in proteins by computer simulation and neutron scattering

Anisotropic dielectric tensor and the Hall effect in a suspension of spheres

artículo científico publicado en 1992

Caring for Your Data

Challenge to test reproducibility of old computer code

scientific article published on 01 October 2019

Code reviewing puts extra demands on referees

artículo científico publicado en 2018

Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”

article

Commentary: Scientific communication in the digital age

Communication: A minimal model for the diffusion-relaxation backbone dynamics of proteins

article

Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories

artículo científico publicado en 2016

Computation in Science

artículo científico publicado en 2020

Computational Science in the Battle Against COVID-19

artículo científico publicado en 2020

Computational Science in the Battle Against COVID-19—Part II

artículo científico publicado en 2021

Computational science: shifting the focus from tools to models

artículo científico publicado en 2014

Computational science: shifting the focus from tools to models

scholarly article by Konrad Hinsen published 17 June 2014 in F1000Research

Computer code: incentives needed ⬇️

artículo científico publicado el 4 de noviembre de 2010

Computing memory functions from molecular dynamics simulations

article

Construction and validation of an atomic model for bacterial TSPO from electron microscopy density, evolutionary constraints, and biochemical and biophysical data.

artículo científico publicado en 2014

Daydreaming about Scientific Programming

artículo científico publicado en 2013

Dealing With Software Collapse

artículo científico publicado en 2019

Dielectric constant of a suspension of uniform spheres

scientific article published on 01 November 1992

Digital scientific notations as a human-computer interface in computer-aided research

Domain-Specific Languages in Scientific Computing

artículo científico publicado en 2018

Economic growth: indicators not targets ⬇️

artículo científico publicado el 16 de diciembre de 2010

Electrostatic interactions in periodic Coulomb and dipolar systems

article

Essential Tools: Version Control Systems

Establishing trust in automated reasoning

artículo científico publicado en 2023

Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions

artículo científico publicado en 2013

Fractional Brownian dynamics in proteins

artículo científico publicado en 2004

From electron microscopy maps to atomic structures using normal mode-based fitting

artículo científico publicado en 2010

Generalized Euler equations for linked rigid bodies.

artículo científico publicado en 1994

HIGH-LEVEL PARALLEL SOFTWARE DEVELOPMENT WITH PYTHON AND BSP

article

Harmonicity in slow protein dynamics

article

Influence of constraints on the dynamics of polypeptide chains

article

Influence of molecular flexibility on DNA radiosensitivity: A simulation study

artículo científico publicado en 2000

Least constraint approach to the extraction of internal motions from molecular dynamics trajectories of flexible macromolecules

article

MOSAIC: a data model and file formats for molecular simulations

artículo científico publicado en 2013

Managing State

Mass and size effects on the memory function of tracer particles

Memory effects in a random walk description of protein structure ensembles

scientific article published on 01 February 2019

Model-free simulation approach to molecular diffusion tensors

artículo científico publicado en 2013

Normal mode-based fitting of atomic structure into electron density maps: application to sarcoplasmic reticulum Ca-ATPase

artículo científico publicado en 2004

Numerical Python

scientific article in Computers in Physics

Parallel Scripting with Python

artículo científico publicado en 2007

Physical arguments for distance-weighted interactions in elastic network models for proteins

artículo científico publicado en 2009

Protein secondary-structure description with a coarse-grained model

artículo científico publicado en 2015

Quantitative model for the heterogeneity of atomic position fluctuations in proteins: A simulation study

article

ReScience C: A Journal for Reproducible Replications in Computational Science

artículo científico publicado en 2019

Redressing the Balance: A Yin-Yang Perspective on Information Technology

artículo científico publicado en 2024

Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering

article

Reusable Versus Re-editable Code

artículo científico publicado en 2018

Scaling laws and memory effects in the dynamics of liquids and proteins

article

Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities

article published in 2017

Sedimentation of Clusters of Spheres

artículo científico publicado en 1996

Simulation studies of structural changes and relaxation processes in lysozyme under pressure

Software Development for Reproducible Research

article

Software vs. data in the context of citation

Solvent effects in the slow dynamics of proteins

article

Staged Computation: The Technique You Did Not Know You Were Using

artículo científico publicado en 2020

Structural flexibility in proteins: impact of the crystal environment

artículo científico publicado en 2007

Structure and Charge-State Dependence of the Gas-Phase Ionization Energy of Proteins

scholarly article by Alexandre Giuliani et al published 21 August 2012 in Angewandte Chemie International Edition

Sustainable computational science: the ReScience initiative ⬇️

article

Technical Debt in Computational Science

scholarly article by Konrad Hinsen published November 2015 in Computing in Science and Engineering

Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study

artículo científico publicado en 1999

The Approximation Tower in Computational Science: Why Testing Scientific Software Is Difficult

scholarly article by Konrad Hinsen published July 2015 in Computing in Science and Engineering

The Magic of Content-Addressable Storage

artículo científico publicado en 2020

The Nature of Computational Models

artículo científico publicado en 2023

The Power to Create Chaos

The Promises of Functional Programming

The Roles of Code in Computational Science

scholarly article by Konrad Hinsen published January 2017 in Computing in Science and Engineering

The amounts of thermal vibrations and static disorder in protein X‐ray crystallographic B‐factors

artículo científico publicado en 2021

The molecular modeling toolkit: A new approach to molecular simulations

Theoretical study of the conformation of the H-protein lipoamide arm as a function of its terminal group

artículo científico publicado en 1999

Transconformations of the SERCA1 Ca-ATPase: A Normal Mode Study ⬇️

artículo científico publicado el 1 de octubre de 2003

Using B SP and Python to simplify parallel programming

Verifiability in computer-aided research: the role of digital scientific notations at the human-computer interface

artículo científico publicado en 2018

Verifiable research: The missing link between replicability and reproducibility

Virtualization for Computational Scientists

Writing Software Specifications

scholarly article by Konrad Hinsen published May 2015 in Computing in Science and Engineering

nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions

article

nMoldyn 3: using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations

artículo científico publicado en 2012

Lista de obras de Konrad Hinsen

A Dream of Simplicity: Scientific Computing on Turing Machines

A Glimpse of the Future of Scientific Programming

A carrot not a stick

A comparison of reduced coordinate sets for describing protein structure.

A data and code model for reproducible research and executable papers

A path-integral Langevin equation treatment of low-temperature doped helium clusters

A scientific model for free will is impossible

ActivePapers: a platform for publishing and archiving computer-aided research

Analysis of domain motions by approximate normal mode calculations

Analysis of domain motions in large proteins

Analysis of low-frequency motions in proteins by computer simulation and neutron scattering

Anisotropic dielectric tensor and the Hall effect in a suspension of spheres

Caring for Your Data

Challenge to test reproducibility of old computer code

Code reviewing puts extra demands on referees

Comment on: “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”

Commentary: Scientific communication in the digital age

Communication: A minimal model for the diffusion-relaxation backbone dynamics of proteins

Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories

Computation in Science

Computational Science in the Battle Against COVID-19

Computational Science in the Battle Against COVID-19—Part II

Computational science: shifting the focus from tools to models

Computational science: shifting the focus from tools to models

Computer code: incentives needed ⬇️

Computing memory functions from molecular dynamics simulations

Construction and validation of an atomic model for bacterial TSPO from electron microscopy density, evolutionary constraints, and biochemical and biophysical data.

Daydreaming about Scientific Programming

Dealing With Software Collapse

Dielectric constant of a suspension of uniform spheres

Digital scientific notations as a human-computer interface in computer-aided research

Domain-Specific Languages in Scientific Computing

Economic growth: indicators not targets ⬇️

Electrostatic interactions in periodic Coulomb and dipolar systems

Essential Tools: Version Control Systems

Establishing trust in automated reasoning

Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions

Fractional Brownian dynamics in proteins

From electron microscopy maps to atomic structures using normal mode-based fitting

Generalized Euler equations for linked rigid bodies.

HIGH-LEVEL PARALLEL SOFTWARE DEVELOPMENT WITH PYTHON AND BSP

Harmonicity in slow protein dynamics

Influence of constraints on the dynamics of polypeptide chains

Influence of molecular flexibility on DNA radiosensitivity: A simulation study

Least constraint approach to the extraction of internal motions from molecular dynamics trajectories of flexible macromolecules

MOSAIC: a data model and file formats for molecular simulations

Managing State

Mass and size effects on the memory function of tracer particles

Memory effects in a random walk description of protein structure ensembles

Model-free simulation approach to molecular diffusion tensors

Normal mode-based fitting of atomic structure into electron density maps: application to sarcoplasmic reticulum Ca-ATPase

Numerical Python

Parallel Scripting with Python

Physical arguments for distance-weighted interactions in elastic network models for proteins

Protein secondary-structure description with a coarse-grained model

Quantitative model for the heterogeneity of atomic position fluctuations in proteins: A simulation study

ReScience C: A Journal for Reproducible Replications in Computational Science

Redressing the Balance: A Yin-Yang Perspective on Information Technology

Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering

Reusable Versus Re-editable Code

Scaling laws and memory effects in the dynamics of liquids and proteins

Scientific workflows for computational reproducibility in the life sciences: Status, challenges and opportunities

Sedimentation of Clusters of Spheres

Simulation studies of structural changes and relaxation processes in lysozyme under pressure

Software Development for Reproducible Research

Software vs. data in the context of citation

Software vs. data in the context of citation

Solvent effects in the slow dynamics of proteins

Staged Computation: The Technique You Did Not Know You Were Using

Structural flexibility in proteins: impact of the crystal environment

Structure and Charge-State Dependence of the Gas-Phase Ionization Energy of Proteins

Sustainable computational science: the ReScience initiative ⬇️

Technical Debt in Computational Science

Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study

The Approximation Tower in Computational Science: Why Testing Scientific Software Is Difficult

The Magic of Content-Addressable Storage

The Nature of Computational Models

The Power to Create Chaos

The Promises of Functional Programming