相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。A Comparative Insight into Amprenavir Resistance of Mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 Protease Based on Thermodynamic Integration and MM-PBSA Methods
Jianzhong Chen et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Hybrid Steered Molecular Dynamics Approach to Computing Absolute Binding Free Energy of Ligand-Protein Complexes: A Brute Force Approach That Is Fast and Accurate
Liao Y. Chen
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Ligand selectivity of estrogen receptors by a molecular dynamics study
Guodong Hu et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2014)
Insight into Conformational Change for 14-3-3σ Protein by Molecular Dynamics Simulation
Guodong Hu et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2014)
Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5
Jagdish Suresh Patel et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Energy landscape views for interplays among folding, binding, and allostery of calmodulin domains
Wenfei Li et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
Revealing Origin of Decrease in Potency of Darunavir and Amprenavir against HIV-2 relative to HIV-1 Protease by Molecular Dynamics Simulations
Jianzhong Chen et al.
SCIENTIFIC REPORTS (2014)
Stabilization and Inhibition of Protein Protein Interactions: The 14-3-3 Case Study
Lech-Gustav Milroy et al.
ACS CHEMICAL BIOLOGY (2013)
Chemical Biology - Current and Next Challenges
Daniel Rauh
ACS CHEMICAL BIOLOGY (2013)
Glycerol modulates water permeation through Escherichia coli aquaglyceroporin GlpF
Liao Y. Chen
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2013)
Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions
Philipp Thiel et al.
CHEMICAL COMMUNICATIONS (2013)
Steered Molecular Dynamics-A Promising Tool for Drug Design
Mai Suan Li et al.
Current Bioinformatics (2013)
Determinants of 14-3-3σ Protein Dimerization and Function in Drug and Radiation Resistance
Zhaomin Li et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2013)
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route
Paolo Nicolini et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
A computational analysis of binding modes and conformation changes of MDM2 induced by p53 and inhibitor bindings
Jianzhong Chen et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
Molecular tweezers modulate 14-3-3 protein-protein interactions
David Bier et al.
NATURE CHEMISTRY (2013)
Structure-based prediction of protein-protein interactions on a genome-wide scale
Qiangfeng Cliff Zhang et al.
NATURE (2012)
Covalent attachment of pyridoxalphosphate derivatives to 14-3-3 proteins
Lars Roeglin et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Regulatory Cascades of Protein Phosphatases: Implications for Cancer Treatment
Noor Jailkhani et al.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY (2011)
Neuraminidase inhibitor R-125489-A promising drug for treating influenza virus: Steered molecular dynamics approach
Binh Khanh Mai et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2011)
Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase
Ying Yang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
Tingjun Hou et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin A
Toni Giorgino et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Web Servers and Services for Electrostatics Calculations with APBS and PDB2PQR
Samir Unni et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD
Wei Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Exploring the free-energy landscapes of biological systems with steered molecular dynamics
L. Y. Chen
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor
Jing Zhao et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Structural basis of 14-3-3 protein functions
Tomas Obsil et al.
SEMINARS IN CELL & DEVELOPMENTAL BIOLOGY (2011)
Rab GTPases implicated in inherited and acquired disorders
Shreya Mitra et al.
SEMINARS IN CELL & DEVELOPMENTAL BIOLOGY (2011)
Structure of a 14-3-3Σ-YAP phosphopeptide complex at 1.15 A resolution
Benjamin Schumacher et al.
ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS (2010)
Microarray-Assisted High-Throughput Identification of a Cell-Permeable Small-Molecule Binder of 14-3-3 Proteins
Hao Wu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Identification of the first non-peptidic small molecule inhibitor of the c-Abl/14-3-3 protein-protein interactions able to drive sensitive and Imatinib-resistant leukemia cells to apoptosis
Valentina Corradi et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2010)
In silico experiments of single-chain antibody fragment against drugs of abuse
Guodong Hu et al.
BIOPHYSICAL CHEMISTRY (2010)
The First Small-Molecule Inhibitor of 14-3-3s: Modulating the Master Regulator
Markus Kaiser et al.
CHEMBIOCHEM (2010)
Top Leads for Swine Influenza A/H1N1 Virus Revealed by Steered Molecular Dynamics Approach
Binh Khanh Mai et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Discovery of Potent Ligands for Estrogen Receptor β by Structure-Based Virtual Screening
Jie Shen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Single-Molecule Pulling Simulations Can Discern Active from Inactive Enzyme Inhibitors
Francesco Colizzi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
Yuqing Deng et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF
Jerome Henin et al.
BIOPHYSICAL JOURNAL (2008)
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics
L. Y. Chen
JOURNAL OF CHEMICAL PHYSICS (2008)
Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases
Ileana Stoica et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels
Toby W. Allen et al.
BIOPHYSICAL CHEMISTRY (2006)
Structural basis for protein-protein interactions in the 14-3-3 protein family
Xiaowen Yang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
14-3-3 proteins in cell cycle regulation
Heiko Hermeking et al.
SEMINARS IN CANCER BIOLOGY (2006)
14-3-3 proteins: A historic overview
Alastair Aitken
SEMINARS IN CANCER BIOLOGY (2006)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
A structural basis for 14-3-3σ functional specificity
EW Wilker et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2005)
Distinguish protein decoys by using a scoring function based on a new AMBER force field, short molecular dynamics simulations, and the generalized born solvent model
MC Lee et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Exploring protein native states and large-scale conformational changes with a modified generalized born model
A Onufriev et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
Y Duan et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Proteomic identification of 14-3-3ζ as a mitogen-activated protein kinase-activated protein kinase 2 substrate:: Role in dimer formation and ligand binding
DW Powell et al.
MOLECULAR AND CELLULAR BIOLOGY (2003)
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RaIGDS complexes
H Gohlke et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Efp targets 14-3-3σ for proteolysis and promotes breast tumour growth
T Urano et al.
NATURE (2002)
分享论文
