Search filters

List of works by Konrad Hinsen

A Dream of Simplicity: Scientific Computing on Turing Machines

A Glimpse of the Future of Scientific Programming

A carrot not a stick

scientific article published in August 2019

A comparison of reduced coordinate sets for describing protein structure.

scientific article

A data and code model for reproducible research and executable papers

article

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

scientific article published in June 2012

A scientific model for free will is impossible

scientific article published on 31 August 2010

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

scientific article

Analysis of domain motions by approximate normal mode calculations

scientific article published in November 1998

Analysis of domain motions in large proteins

scientific article published on 01 February 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

scientific article published on 01 December 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

scientific article published in Nature

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

scientific article published in October 2016

Computation in Science

scientific article published in September 2020

Computational Science in the Battle Against COVID-19

scientific article published on 13 October 2020

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

scientific article published in January 2021

Computational science: shifting the focus from tools to models

scientific article

Computational science: shifting the focus from tools to models

scholarly article by Konrad Hinsen published 17 June 2014 in F1000Research

Computer code: incentives needed ⬇️

scientific article published on November 4, 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.

scientific article

Daydreaming about Scientific Programming

scientific article published in September 2013

Dealing With Software Collapse

scientific article published in May 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

scientific article published in January 2018

Economic growth: indicators not targets

scientific article

Electrostatic interactions in periodic Coulomb and dipolar systems

article

Essential Tools: Version Control Systems

Establishing trust in automated reasoning

scientific article published on 6 July 2023

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

scientific article published on 21 November 2013

Fractional Brownian dynamics in proteins.

scientific article published in November 2004

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

scientific article published in January 2010

Generalized Euler equations for linked rigid bodies.

scientific article published in August 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

scientific article published on 01 September 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

scientific article

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

scientific article published in October 2013

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

scientific article

Numerical Python

scientific article in Computers in Physics

Parallel Scripting with Python

scientific article published on 05 November 2007

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

scientific article published on 2 November 2009

Protein secondary-structure description with a coarse-grained model

scientific article

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

scientific article published in 2019

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

scientific article published on 17 October 2024

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

article

Reusable Versus Re-editable Code

scientific article published in May 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

scientific article published in September 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

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

scientific article published in July 2020

Structural flexibility in proteins: impact of the crystal environment

scientific article published on 18 December 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

scientific article published on 01 January 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

scientific article published in May 2020

The Nature of Computational Models

scientific article published in January 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

scientific article published on 5 July 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

scientific article published on 01 August 1999

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

scientific article published on October 1, 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

scientific article

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

scientific article published on 8 June 2012

Paulina is supported by:

About Paulina

Help