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。Structure of a small-molecule inhibitor complexed with GlmU from Haemophilus influenzae reveals an allosteric binding site
Igor Mochalkin et al.
PROTEIN SCIENCE (2008)
Crystal structure of human estrogen-related receptor α in complex with a synthetic inverse agonist reveals its novel molecular mechanism
Joerg Kallen et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2007)
Structural biology approaches to antibacterial drug discovery
Tod P. Holler et al.
EXPERT OPINION ON DRUG DISCOVERY (2007)
Transient pockets on protein surfaces involved in protein-protein interaction
Susanne Eyrisch et al.
JOURNAL OF MEDICINAL CHEMISTRY (2007)
New method for fast and accurate binding-site identification and analysis
Tom Halgren
CHEMICAL BIOLOGY & DRUG DESIGN (2007)
Structure-based maximal affinity model predicts small-molecule druggability
Alan C. Cheng et al.
NATURE BIOTECHNOLOGY (2007)
Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness
Lian Yi Han et al.
DRUG DISCOVERY TODAY (2007)
Macrocyclic aminopyrimidines as multitarget CDK and VEGF-R inhibitors with potent antiproliferative activities
Ulrich Luecking et al.
CHEMMEDCHEM (2007)
Small molecule protein-protein inhibitors for the p53-MDM2 interaction
Anna S. Dudkina et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2007)
Druggability of human disease genes
Meena Kishore Sakharkar et al.
INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY (2007)
Opinion - How many drug targets are there?
John P. Overington et al.
NATURE REVIEWS DRUG DISCOVERY (2006)
Structure-based identification of small molecule binding sites using a free energy model
Ryan G. Coleman et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
Opinion - Drugs, their targets and the nature and number of drug targets
Peter Imming et al.
NATURE REVIEWS DRUG DISCOVERY (2006)
Fragment screening: an introduction
Andrew R. Leach et al.
MOLECULAR BIOSYSTEMS (2006)
A practical view of 'druggability'
Thomas H. Keller et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2006)
Interrogating the druggable genome with structural informatics
Kevin Hambly et al.
MOLECULAR DIVERSITY (2006)
Global mapping of pharmacological space
Gaia V. Paolini et al.
NATURE BIOTECHNOLOGY (2006)
TarFisDock: a web server for identifying drug targets with docking approach
Honglin Li et al.
NUCLEIC ACIDS RESEARCH (2006)
Prioritizing genomic drug targets in pathogens:: Application to Mycobacterium tuberculosis
Samiul Hasan et al.
PLOS COMPUTATIONAL BIOLOGY (2006)
On the nature of cavities on protein surfaces: Application to the identification of drug-binding sites
Murad Nayal et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Progress and problems in the exploration of therapeutic targets
Chanjuan Zheng et al.
DRUG DISCOVERY TODAY (2006)
sc-PDB: an annotated database of druggable binding sites from the protein data bank
E Kellenberger et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
A method for localizing ligand binding pockets in protein structures
F Glaser et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
DrugBank: a comprehensive resource for in silico drug discovery and exploration
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2006)
Pfam: clans, web tools and services
Robert D. Finn et al.
NUCLEIC ACIDS RESEARCH (2006)
Therapeutic targets: Progress of their exploration and investigation of their characteristics
C. J. Zheng et al.
PHARMACOLOGICAL REVIEWS (2006)
Effects of conformational dynamics on predicted protein druggability
Scott P. Brown et al.
CHEMMEDCHEM (2006)
QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case study
Sebastian Sinnecker et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
The druggable genome: an update
AP Russ et al.
DRUG DISCOVERY TODAY (2005)
Representativity of target families in the protein data bank: impact for family-directed structure-based drug discovery
J Mestres
DRUG DISCOVERY TODAY (2005)
Predicting protein druggability
PJ Hajduk et al.
DRUG DISCOVERY TODAY (2005)
High affinity targets of protein kinase inhibitors have similar residues at the positions energetically important for binding
FB Sheinerman et al.
JOURNAL OF MOLECULAR BIOLOGY (2005)
Are AM1 ligand-protein binding enthalpies good enough for use in the rational design of new drugs?
R Villar et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Pocketome via comprehensive identification and classification of ligand binding envelopes
JH An et al.
MOLECULAR & CELLULAR PROTEOMICS (2005)
Druggability indices for protein targets derived from NMR-based screening data
PJ Hajduk et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Identification of the ligand binding sites on the molecular surface of proteins
K Kinoshita et al.
PROTEIN SCIENCE (2005)
The target discovery process
U Egner et al.
CHEMBIOCHEM (2005)
The evolution of synthetic oral drug properties
JR Proudfoot
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Interaction profiles of protein kinase-inhibitor complexes and their application to virtual screening
C Chuaqui et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Library design for fragment based screening
A Schuffenhauer et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2005)
The nuclear receptor ligand-binding domain: A family-based structure analysis
S Folkertsma et al.
CURRENT MEDICINAL CHEMISTRY (2005)
MSDsite: A database search and retrieval system for the analysis and viewing of bound ligands and active sites
A Golovin et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)
Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF
PTC Wan et al.
CELL (2004)
In vivo activation of the p53 pathway by small-molecule antagonists of MDM2
LT Vassilev et al.
SCIENCE (2004)
Structural interaction fingerprint (SIFt): A novel method for analyzing three-dimensional protein-ligand binding interactions
Z Deng et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Kinase inhibition with BAY 43-9006 n renal cell carcinoma
T Ahmad et al.
CLINICAL CANCER RESEARCH (2004)
The chemical hunt for the identification of drugable targets
NC Meisner et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2004)
Crystal structures of two potent nonamidine inhibitors bound to factor Xa
M Adler et al.
BIOCHEMISTRY (2002)
The druggable genome
AL Hopkins et al.
NATURE REVIEWS DRUG DISCOVERY (2002)
Prediction of protein solvent accessibility using support vector machines
Z Yuan et al.
PROTEINS-STRUCTURE FUNCTION AND GENETICS (2002)
Plasticity of enzyme active sites
AE Todd et al.
TRENDS IN BIOCHEMICAL SCIENCES (2002)
TTD: Therapeutic Target Database
X Chen et al.
NUCLEIC ACIDS RESEARCH (2002)
Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with PhosphoCDK2
HW Song et al.
MOLECULAR CELL (2001)
Structure of the Tie2 RTK domain: Self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail
LM Shewchuk et al.
STRUCTURE (2000)
The Protein Data Bank and the challenge of structural genomics
HM Berman et al.
NATURE STRUCTURAL BIOLOGY (2000)
Drug-like properties and the causes of poor solubility and poor permeability
CA Lipinski
JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS (2000)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)
分享论文
