Programs and Web Servers

The computational codes developed in-house are listed below. Except where noted, these codes are provided under the license, as described in each part of the code.

SID

For epidemic disease (e.g. COVID-19) prediction.

DA2

DA2 is an enhanced sampling method, which is capable of searching new functional states of protein from a known structure with high efficiency.

teDA2

teDA2 is an enhanced sampling method, which studies the dynamics between functional states of various biomolecular machines.

This SID model was designed to mimic the propagation’s random and heterogeneous nature by tracking everyone’s motion.

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01. Job Description

User’s email and Job name are necessary. The state of job would be sent to the user’s email

02. Basic Parameters

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03. Extra Parameters

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DA2

A Data‐Driven Accelerated Sampling Method

for Searching Functional States of Proteins

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teDA2

A Two-ended DAta-Driven Accelerated Sampling Method

for Exploring the Transition Pathways between Two Known States of Protein

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