Fragment-based Peptide Docking

Fragment-based Peptide Docking

Brought to you by: tiomiya

Downloads: 0 This Week

Last Update: 2017-04-11

Get an email when there's a new version of Fragment-based Peptide Docking

A fortran based fragmentizing-docking-remerging program for long peptides (10-16 amino acids) docking simulations.
This program is compiled by intel fortran at OpenSUSE 64-bits. Designed for 4GPU servers.

NOTE: AMBER software packages, AMBER Tools and pmemd.cuda must be normally installed to fully operate this program. However you can still sample massive initial structures (500k~2m peptide conformations) without AMBER.

Reference:
http://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp07136h

Supporter: JM Liao, tiomiya@hotmail.com

Project Activity

See All Activity >

Follow Fragment-based Peptide Docking

Fragment-based Peptide Docking Web Site

Other Useful Business Software

Train ML Models With SQL You Already Know Icon

Train ML Models With SQL You Already Know

BigQuery automates data prep, analysis, and predictions with built-in AI assistance.

Build and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.

Try Free

Rate This Project

Login To Rate This Project

User Reviews

Be the first to post a review of Fragment-based Peptide Docking!

Additional Project Details

Registered

2017-02-28

Report inappropriate content

$300 Free Credits for Your Google Cloud Projects

Start building on Google Cloud with $300 in free credits. No commitment, no credit card required until you're ready to scale.

Launch your next project with $300 in free Google Cloud credits—no strings attached. Test, build, and deploy without risk. Use your credits across the entire Google Cloud platform to find what works best for your needs. After your credits are used, continue with always-free tier services. Only pay when you're ready to scale. Sign up in minutes and start exploring.

Start Free Trial

Recommended Projects

LineageOS 17.1 Amber
# Инструкция по сборке LineageOS 17.1 для Amber Этот архив содержит полностью настроенные исходные коды (Device, Vendor, Kernel) для сборки рабочей прошивки. Все ошибки компиляции (Kconfig, Metalava API) уже исправлены. ## Как развернуть исходники: 1. Скачайте архив `CompileLineageOS17-1-Amber-v1.tar.gz`. 2. Распакуйте его в корень папки с исходным кодом LineageOS: tar -xvf CompileLineageOS17-1-Amber-v1.tar.gz -C ~/android/lineage/ ## Важные требования к компиляции: Для успешного завершения сборки без ошибок OutOfMemory выполните перед запуском: export _JAVA_OPTIONS="-Xmx4g -Xms1g -XX:+UseG1GC" export NINJA_ARGS="-j2" export MAKEFLAGS="-j2" export WITHOUT_CHECK_API=true ## 8GB RAM пишем в 113000 этапе компиляции export _JAVA_OPTIONS="-Xmx4g" и mka bacon -j2 ## breakfast Amber ## Запуск сборки: brunch Amber ## Use this for change lineageos_Amber_defconfig - make ARCH=arm64 CROSS_COMPILE=aarch64-linux-gnu- lineageos_Amber_defconfig menuconfig
amber
A Crystal web framework that makes building applications fast
NOCH
NOC is a open source development toolkit and a powerful molecular explorer for protein structure visualizing,analysis,crystallographic mapping, modeling, and refinement, Gromacs/Amber MD trajectories displaying,movie making...
Algernon
Small self-contained pure-Go web server with Lua, Markdown, HTTP/2
amber: a granular sampling tool
Amber is an easy-to-use, multi-faceted granular sampling tool for composers wishing to construct timbrally complex sounds; available as a command-line tool for Linux-similar operating systems, or with a Cocoa wrapper that runs on Macintosh OS X.