新材料,石油炼制,石油化工,精细化工,生物医药

计算生物学、药物设计

分子模拟;增强抽样;温度积分抽样;蛋白质折叠

Proteins;Crystal Structure;Backward Walking;Chemomechanical Coupling;N4 Site Dna Recognition;Jak-stat Pathway;Innate Immunity;Stat6;Antiviral;Molecular Biophysics

1. Enhanced Sampling in Molecular Dynamics.
Yi Isaac Yang; Qiang Shao; Jun Zhang; Lijiang Yang; Yi Qin Gao
The Journal of Chemical Physics, 2019

2. Identification of Pyrogallol As a Warhead in Design of Covalent Inhibitors for the SARS-CoV-2 3CL Protease
Haixia Su; Sheng Yao; Wenfeng Zhao; Yumin Zhang; Jia Liu; Qiang Shao; Qingxing Wang; Minjun Li; Hang Xie; Weijuan Shang; Changqiang Ke; Lu Feng; Xiangrui Jiang; Jingshan Shen; Gengfu Xiao
Nature Communications, 2021

3. Structural Basis for Chemokine Recognition and Receptor Activation of Chemokine Receptor CCR5
Hui Zhang; Kun Chen; Qiuxiang Tan; Qiang Shao; Shuo Han; Chenhui Zhang; Cuiying Yi; Xiaojing Chu; Ya Zhu; Yechun Xu; Qiang Zhao; Beili Wu
Nature Communications, 2021

4. Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins - A Combined Molecular Dynamics and Nmr Study
Soyoun Hwang; Qiang Shao; Howard Williams; Christian Hilty; Yi Qin Gao
The Journal of Physical Chemistry B, 2011

5. What Coronavirus 3c‐like Protease Tells Us: from Structure, Substrate Selectivity, to Inhibitor Design
Muya Xiong; Haixia Su; Wenfeng Zhao; Hang Xie; Qiang Shao; Yechun Xu
MEDICINAL RESEARCH REVIEWS, 2021

6. On the Hand-Over-Hand Mechanism of Kinesin
Qiang Shao; Yi Qin Gao
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006

7. On the Influence of Hydrated Imidazolium-Based Ionic Liquid on Protein Structure Stability: a Molecular Dynamics Simulation Study.
Qiang Shao
JOURNAL OF CHEMICAL PHYSICS, 2013

8. From Protein Denaturant to Protectant: Comparative Molecular Dynamics Study of Alcohol/protein Interactions
Qiang Shao; Yubo Fan; Lijiang Yang; Yi Qin Gao
JOURNAL OF CHEMICAL PHYSICS, 2012

9. From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events
Lijiang Yang; Cheng-Wen Liu; Qiang Shao; Jun Zhang; Yi Qin Gao
ACCOUNTS OF CHEMICAL RESEARCH, 2015

10. Thermodynamics and Folding Pathways of Trpzip2: an Accelerated Molecular Dynamics Simulation Study.
Lijiang Yang; Qiang Shao; Yi Qin Gao
The Journal of Physical Chemistry B, 2008

1. 提高肉鸡生长免疫性能的饲料添加剂、制备方法及应用
浙江大学
王友明; 姚中磊; 王迎松; 邵强; 龚杜明; 施明华; 周金伟; 沈天坤; 卜宏泉
公开日期: 2014-03-26 申请日期: 2013-12-04 公开号: CN103652442A

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