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。What is the future for fragment-based drug discovery?
Gyorgy M. Keseru et al.
FUTURE MEDICINAL CHEMISTRY (2017)
A novel allosteric site in casein kinase 2α discovered using combining bioinformatics and biochemistry methods
Hai-ming Jiang et al.
ACTA PHARMACOLOGICA SINICA (2017)
A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066
Claudia De Fusco et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2017)
Chemical Proteomics Reveals Ferrochelatase as a Common Off-target of Kinase Inhibitors
Susan Klaeger et al.
ACS CHEMICAL BIOLOGY (2016)
Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry
Milon Mondal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Identification of lead small molecule inhibitors of glycogen synthase kinase-3 beta using a fragment-linking strategy
Jinhee Kim et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2016)
Enriching screening libraries with bioactive fragment space
Na Zhang et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2016)
Interactions of benzotriazole UV stabilizers with human serum albumin: Atomic insights revealed by biosensors, spectroscopies and molecular dynamics simulations
Shulin Zhuang et al.
CHEMOSPHERE (2016)
Classification of small molecule protein kinase inhibitors based upon the structures of their drug-enzyme complexes
Robert Roskoski
PHARMACOLOGICAL RESEARCH (2016)
Specific inhibition of CK2 alpha from an anchor outside the active site
Paul Brear et al.
CHEMICAL SCIENCE (2016)
Protein kinase CK2 in breast cancer: the CK2β regulatory subunit takes center stage in epithelial plasticity
Odile Filhol et al.
CELLULAR AND MOLECULAR LIFE SCIENCES (2015)
A historical overview of protein kinases and their targeted small molecule inhibitors
Robert Roskoski
PHARMACOLOGICAL RESEARCH (2015)
FDA-approved small-molecule kinase inhibitors
Peng Wu et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2015)
Structural Basis for Low-Affinity Binding of Non-R2 Carboxylate-Substituted Tricyclic Quinoline Analogs to CK2α: Comparative Molecular Dynamics Simulation Studies
Yue Zhou et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2015)
Kinase CK2 Inhibition: An Update
G. Cozza et al.
CURRENT MEDICINAL CHEMISTRY (2013)
Exploring the crucial structural elements required for tricyclic quinoline analogs as protein kinase CK2 inhibitors by a combined computational analysis
Yue Zhou et al.
MEDICINAL CHEMISTRY RESEARCH (2013)
Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases
Michael J. Schnieders et al.
CURRENT PHARMACEUTICAL DESIGN (2012)
Structural and functional analysis of the flexible regions of the catalytic α-subunit of protein kinase CK2
Elena Papinutto et al.
JOURNAL OF STRUCTURAL BIOLOGY (2012)
ATP Site-Directed Inhibitors of Protein Kinase CK2: An Update
S. Sarno et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2011)
Structural basis for decreased affinity of Emodin binding to Val66-mutated human CK2 alpha as determined by molecular dynamics
Na Zhang et al.
JOURNAL OF MOLECULAR MODELING (2010)
How Druggable Is Protein Kinase CK2?
Giorgio Cozza et al.
MEDICINAL RESEARCH REVIEWS (2010)
Emodin Triggers DNA Double-Strand Breaks by Stabilizing Topoisomerase II-DNA Cleavage Complexes and by Inhibiting ATP Hydrolysis of Topoisomerase II
Yan Li et al.
TOXICOLOGICAL SCIENCES (2010)
Structural bases of protein kinase CK2 inhibition
R. Battistutta
CELLULAR AND MOLECULAR LIFE SCIENCES (2009)
The selectivity of inhibitors of protein kinase CK2: an update
Mario A. Pagano et al.
BIOCHEMICAL JOURNAL (2008)
The CK2α/CK2β interface of human protein kinase CK2 harbors a binding pocket for small molecules
Jennifer Raaf et al.
CHEMISTRY & BIOLOGY (2008)
Protein kinase CK2 in human diseases
Barbara Guerra et al.
CURRENT MEDICINAL CHEMISTRY (2008)
Identification of chemical inhibitors of protein-kinase CK2 subunit interaction
Beatrice Laudet et al.
MOLECULAR AND CELLULAR BIOCHEMISTRY (2008)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
Computational study of protein specificity: The molecular basis of HIV-1 protease drug resistance
W Wang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)
Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA
JM Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)
分享论文
