Global First! Molecular Heart Xu Jinbo's team has opened up new algorithms to overcome the challenges of protein side chain prediction and sequence design
AD |
Recently, the team led by Molecular Heart Xu Jinbo has launched a new AI protein side chain prediction algorithm called "AttnPacker", which has achieved significant improvements in speed, memory efficiency, and overall accuracy. It is currently the best known side chain structure prediction algorithm and the world's first AI algorithm that can simultaneously predict side chains and design protein sequences
Recently, the team led by Molecular Heart Xu Jinbo has launched a new AI protein side chain prediction algorithm called "AttnPacker", which has achieved significant improvements in speed, memory efficiency, and overall accuracy. It is currently the best known side chain structure prediction algorithm and the world's first AI algorithm that can simultaneously predict side chains and design protein sequences. The relevant paper has been published in the internationally authoritative academic journal "Proceedings of the American Academy of Sciences".
A protein is formed by folding several amino acids, and its structure is divided into main and side chains. The formation of protein structure and function largely depends on the interaction between side chain atoms. Therefore, accurate protein side chain prediction (PSCP) is a key link to solve the problem of protein structure prediction and protein design. When applied to the field of drug design, scientists can quickly and accurately find suitable binding sites for drugs and receptors, and even optimize or design binding sites as needed; In the field of enzyme optimization, scientists can optimize and modify protein sequences to involve multiple side chains in catalytic reactions, achieving more efficient and specific catalytic effects.
Professor Xu Jinbo is known as the "founder of AI protein folding" in the industry. In 2016, he proposed the first AI protein folding algorithm, which inspired Deepmind to develop AlphaFold, solving the problem of predicting the three-dimensional structure of most protein main chains. However, the prediction of protein side chain structure has not yet been completely broken through, which has become one of the important factors restricting the wide application of protein design technology in innovative drug research and development, synthetic biology and other fields.
Professor Xu Jinbo has been studying the prediction of protein side chain structure since 2003 and is one of the longest studied scientists in this field. His early papers on side chain structure prediction algorithms have been published at academic conferences and journals such as RECOMB, the top conference of international computational molecular biology, and Journal of the ACM, the official journal of the Association for Computing Machinery (ACM).
This time, Xu Jinbo's team innovatively developed AttnPacker, a new end-to-end deep learning method for predicting protein side chain coordinates. It combines simulation of side chain interactions and directly predicts side chain structures that are more physically feasible, with fewer atomic collisions and more ideal bond lengths and angles. AttnPacker has good predictive performance, high efficiency, and is more user-friendly, which is conducive to its widespread use in scientific research and industrial fields, "said Professor Xu Jinbo.
In terms of prediction performance, AttnPacker shows the best prediction accuracy and efficiency compared to previous state-of-the-art methods. Simultaneously ensuring physical authenticity. Due to the adoption of innovative methods. Compared with other methods, AttnPacker significantly improves computational efficiency and reduces inference time by more than 100 times.
AttnPacker performs equally well in protein design. Molecular Heart trained an AttnPacker variant for collaborative design. The protein sequence designed by this variant achieves key indicators such as natural sequence recovery rate, accuracy, and energy, which are comparable to or surpass the state-of-the-art protein design algorithms.
In addition to its amazing effectiveness and efficiency, AttnParker also has a very practical value - it is very easy to use and only requires a protein structure file to run.
To promote the development and application of this AI algorithm, Molecular Heart has opened up AttnPacker's pre training model, source code, and inference scripts on Github.
We will continue to explore more accurate and efficient protein prediction and design algorithms based on AI, "Xu Jinbo said, hoping that algorithms such as AttnPacker can further promote the solution of protein design needs in industrial applications.
Disclaimer: The content of this article is sourced from the internet. The copyright of the text, images, and other materials belongs to the original author. The platform reprints the materials for the purpose of conveying more information. The content of the article is for reference and learning only, and should not be used for commercial purposes. If it infringes on your legitimate rights and interests, please contact us promptly and we will handle it as soon as possible! We respect copyright and are committed to protecting it. Thank you for sharing.(Email:[email protected])
Mobile advertising space rental |
Tag: Global First Molecular Heart Xu Jinbo team has opened
Web3 Era: GACCOIN Building a One Stop Web3.0 Aggregation Whole Industry Ecological Platform
Next12306App opens online verification of student discount qualifications from now on
Guess you like
-
Huawei's 2025 China Digital Power Partner Conference: Carbon-Neutral Path for China, Shared Value CreationDetail
2025-03-31 18:57:09 1
-
OPPO Think Tank: A New Paradigm for Chinese Enterprises' Globalization From Wusha Village to the Global High-End MarketDetail
2025-03-31 18:48:21 1
-
ICLR 2025: Chinese Universities and Companies Showcase AI Prowess with Numerous Accepted Papers; Stanford-HKUST Collaboration Achieves Perfect ScoreDetail
2025-03-31 14:54:45 1
-
Huawei HarmonyOS Smart Home Partner Summit: Deep Dive into Spatial Intelligence Transformation and Ecosystem Development StrategyDetail
2025-03-31 13:01:45 1
-
AI Large Models Drive Innovation in Humanoid Robots and Autonomous Driving: 2025 as a Key MilestoneDetail
2025-03-31 13:00:04 1
-
Eight Cities Pilot Credit Supervision Data Openness, Empowering Micro and Small Enterprises with Mobile Payment PlatformsDetail
2025-03-26 09:32:47 1
-
Xiaomi's "Just a Little Profit": The Deep Logic and Sustainability Behind its Low-Margin StrategyDetail
2025-03-25 15:07:32 21
- Detail
-
The Ninth Huawei ICT Competition China Challenge Finals Conclude Successfully: Kunpeng and Ascend Tracks Crown Their ChampionsDetail
2025-03-24 16:26:03 11
-
Ronshen Sugar Cube Refrigerator: The Official Product of the 2025 FIFA Club World Cup, Ushering in a New Era of Healthy Food PreservationDetail
2025-03-24 15:40:35 1
-
Zhihu Launches New Version of Zhihu Straight Answer: Deep Integration of AI and Community to Enhance Professionalism and CredibilityDetail
2025-03-24 14:04:38 1
-
China Construction Ninth Harmony (Zhongjian Jiuhe) and Huawei HarmonyOS Smart Home Deepen Strategic Partnership at AWE2025, Building a Green and Intelligent Future HomeDetail
2025-03-23 15:21:15 41
-
ZuoYeBang Books Leads the New Trend in Intelligent Education Publishing at Changsha Book FairDetail
2025-03-21 15:15:33 1
-
Tianyancha: Shielding Consumer Safety and Reshaping Business Trust with DataDetail
2025-03-21 08:47:58 1
-
Hisense at AWE2025: AI Empowerment, Leading the Transformation of Future Smart LivingDetail
2025-03-20 18:24:11 1
-
Haier TV Makes a Stunning Debut at AWE 2024: Zhiyuan AI Large Model and PureScene Care Screen Usher in a New Era of Smart HomesDetail
2025-03-20 15:17:20 1
-
China Power's Xin Yuan Zhi Chu (New Source Smart Storage): Open Energy Intelligence Computing Center Leads Intelligent Transformation of the Energy IndustryDetail
2025-03-20 15:15:39 1
-
Leader's All-in-One Three-Drum Washing Machine: Say Goodbye to Laundry Hassles and Embrace a "Refined Lazy" LifestyleDetail
2025-03-20 11:32:30 21
-
Ningxia Jinhe Dairy: Riding the Pinduoduo Wave, a Legacy Brand Finds New Life and Expands NationallyDetail
2025-03-19 16:13:01 21
-
Huya's 2024 Financial Report Highlights Impressive Growth and Successful AI-Driven TransformationDetail
2025-03-19 10:51:51 1