Solution structure of FXI:FXI dimer and activation mechanism by thrombin: A molecular docking and MD refinement study

被引：0
|
作者：
Venkateswarlu, Divi [1 ]
机构：
[1] NC AT State Univ, Greensboro, NC USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 255卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
566
引用
收藏
页数：1
相关论文
共 20 条
  • [1] A Proposed Solution Structural Model for Human Coagulation Tenase Complex between Factor VIIIa and IXa: A Protein-Protein Docking and MD Refinement Study
    Venkateswarlu, Divi
    BIOPHYSICAL JOURNAL, 2013, 104 (02) : 665A - 666A
  • [2] Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution: A QM/MM-MD Study
    Soto-Delgado, Jorge
    Tapia, Ricardo A.
    Torras, Juan
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (10) : 4735 - 4742
  • [3] Study on Structure Activity Relationship of Natural Flavonoids against Thrombin by Molecular Docking Virtual Screening Combined with Activity Evaluation In Vitro
    Wang, Xiaoyan
    Yang, Zhen
    Su, Feifei
    Li, Jin
    Boadi, Evans Owusu
    Chang, Yan-xu
    Wang, Hui
    MOLECULES, 2020, 25 (02):
  • [4] Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivative
    Arshad, Suhana
    Pillai, Renjith Raveendran
    Zainuri, Dian Alwani
    Khalib, Nuridayanti Che
    Razak, Ibrahim Abdul
    Armakovic, Stevan
    Armakovic, Sanja J.
    Panicker, C. Yohannan
    Van Alsenoy, C.
    JOURNAL OF MOLECULAR STRUCTURE, 2017, 1135 : 234 - 246
  • [5] New Acetamide-Sulfonamide-Containing Scaffolds: Antiurease Activity Screening, Structure-Activity Relationship, Kinetics Mechanism, Molecular Docking, and MD Simulation Studies
    Ahmad, Saghir
    Qadir, Muhammad Abdul
    Ahmed, Mahmood
    Imran, Muhammad
    Yousaf, Numan
    Wani, Tanveer A.
    Zargar, Seema
    Ali, Ijaz
    Muddassar, Muhammad
    MOLECULES, 2023, 28 (14):
  • [6] Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study
    Ali, Md Yousof
    Zaib, Sumera
    Jannat, Susoma
    Khan, Imtiaz
    Rahman, M. Mizanur
    Park, Seong Kyu
    Chang, Mun Seog
    MOLECULES, 2022, 27 (07):
  • [7] Spectroscopic and molecular docking study on the structure-affinity relationship and mechanism in the interaction of genistein and its derivatives with bovine serum albumin
    Guo, Yu
    Shen, Lixian
    Yao, Xu
    Liu, Yang
    Liu, Yunmei
    Chen, Hongfei
    Min, Ke
    Zheng, Xing
    LUMINESCENCE, 2017, 32 (08) : 1368 - 1384
  • [8] Solution structural model for human extrinsic blood coagulation complex (TF.VIIA.X): Protein-protein docking and molecular dynamics refinement study.
    Venkateswarlu, D
    Duke, RE
    Darden, T
    Pedersen, LG
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U758 - U758
  • [9] Synthesis, characterization, structure, DNA binding aspects and molecular docking study of a novel Schiff base ligand and its bis( μ-chloro) bridged Cu(II) dimer
    Guhathakurta, Bhargab
    Basu, Pritha
    Purohit, Chandra Shekhar
    Bandyopadhyay, Nirmalya
    Kumar, Gopinatha Suresh
    Chowdhury, Shubhamoy
    Naskar, Jnan Prakash
    POLYHEDRON, 2017, 126 : 195 - 204
  • [10] Structure prediction and R115866 binding study of human CYP26A1: homology modelling, fold recognition, molecular docking and MD simulations
    Ren, J. H.
    Xiong, X. Q.
    Sha, Y.
    Yan, M. C.
    Lin, B.
    Wang, J.
    Jing, Y. K.
    Zhao, D. M.
    Cheng, M. S.
    MOLECULAR SIMULATION, 2008, 34 (03) : 337 - 346
12