Heidi Klem (hklem)

hklem

Geek Repo

Company:National Institute of Standards and Technology

Location:Boulder, CO

Home Page:https://www.linkedin.com/in/heidi-klem-1a84b3166

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Heidi Klem's repositories

QMzyme

QM-based enzyme model generation and validation.

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enzyASM

A toolkit for enzyme active site modeling (ASM).

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camlc24.github.io

Website of the CAMLC24 workshop

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cclib

Parsers and algorithms for computational chemistry logfiles

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theory-suite-wiki

This repository holds the source files and html files of a documentation webpage made by the members of the Patonlab and BioE-KimLab at CSU

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tips-and-tricks

Things I've found helpful during the course of my scientific career.

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Allosteric_Pathway_Observables

Semi-temporary repo for a collection of metrics used in the literature to describe allostery. Once the "observable" is calculated, a pathway finding algorithm (think Dijkstra algorithm) is used to qualify the pathways of action.

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camlc24_session_4

Course material for CAMLC24 session 4 CREST and conformational searches

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CHEM573F

Computational Spectroscopy Course

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Molecular-Dynamics-Tutorial

A tutorial on how to prepare and run a system using the Amber software.

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sdsc-summer-institute-2021

San Diego Supercomputer Center Summer Institute

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