This repository contains advanced Python tutorials developed with care and dedication to foster learning and collaboration. The code and materials provided here are the result of significant effort, ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. A complete ...

Abstract: Since they offer profound insights into the atomic-level interactions between drug candidates and their biological targets, molecular dynamics (MD) simulations have become extremely ...

Intrinsically Disordered Proteins (IDPs) challenge traditional structure-function paradigms by existing as dynamic ensembles rather than stable tertiary structures. Capturing these ensembles is ...

The materials have been made available under an MIT license. The materials are as-is with no liability for the author. Please provide credit if you reuse the code in ...

A new technical paper titled “Modeling and Simulating Emerging Memory Technologies: A Tutorial” was published by researchers at TU Dortmund, TU Dresden, Karlsruhe Institute of Technology (KIT) and FAU ...

Introduction: Treatment of type 2 diabetes (T2D) remains a significant challenge because of its multifactorial nature and complex metabolic pathways. There is growing interest in finding new ...

Abstract: Nested simulation refers to the problem of estimating a functional of a conditional expectation that cannot be evaluated analytically and requires simulation. It finds a wide range of ...

This document contains a tutorial and training exercise for getting started using the VIC model across a spatial domain and making use of the ITaP Research Computing cluster system resources. It ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Atomistic molecular dynamics (MD) simulations have become an indispensable tool for ...