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。Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results
Yan Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set
Yan Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
PubChem BioAssay: 2014 update
Yanli Wang et al.
NUCLEIC ACIDS RESEARCH (2014)
De Novo Design, Synthesis and Evaluation of Benzylpiperazine Derivatives as Highly Selective Binders of Mcl-1
Xiao Ding et al.
CHEMMEDCHEM (2013)
Mining the Characteristic Interaction Patterns on Protein Protein Binding Interfaces
Yan Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Binding Affinity Prediction for Protein-Ligand Complexes Based on β Contacts and B Factor
Qian Liu et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
ID-Score: A New Empirical Scoring Function Based on a Comprehensive Set of Descriptors Related to Protein-Ligand Interactions
Guo-Bo Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
SFCscore(RF): A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes
David Zilian et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Development of the Knowledge-Based and Empirical Combined Scoring Algorithm (KECSA) To Score Protein-Ligand Interactions
Zheng Zheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology
Kun-Yi Hsin et al.
PLOS ONE (2013)
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties
Alfonso T. Garcia-Sosa et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
Ligand Identification Scoring Algorithm (LISA)
Zheng Zheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes
Gerd Neudert et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
PHOENIX: A Scoring Function for Affinity Prediction Derived Using High-Resolution Crystal Structures and Calorimetry Measurements
Yat T. Tang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes
Jacob D. Durrant et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes
Yan Li et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Comparative Assessment of Scoring Functions on a Diverse Test Set
Tiejun Cheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Toward a quantitative theory of intrinsically disordered proteins and their function
Jintao Liu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
N-(thiazol-2-yl)-2-thiophene carboxamide derivatives as Abl inhibitors identified by a pharmacophore-based database screening of commercially available compounds
Fabrizio Manetti et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Binding MOAD, a high-quality protein-ligand database
Mark L. Benson et al.
NUCLEIC ACIDS RESEARCH (2008)
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Tiqing Liu et al.
NUCLEIC ACIDS RESEARCH (2007)
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)
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB
Peter Block et al.
NUCLEIC ACIDS RESEARCH (2006)
Binding MOAD (Mother of All Databases)
LG Hu et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)
The PDBbind database: Methodologies and updates
RX Wang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Discovery of a novel binding trench in HIV integrase
JR Schames et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Het-PDB Navi.: A database for protein-small molecule interactions
A Yamaguchi et al.
JOURNAL OF BIOCHEMISTRY (2004)
The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures
RX Wang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Announcing the worldwide Protein Data Bank
H Berman et al.
NATURE STRUCTURAL BIOLOGY (2003)
L/D Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexes
D Puvanendrampillai et al.
BIOINFORMATICS (2003)
Relibase:: Design and development of a database for comprehensive analysis of protein-ligand interactions
M Hendlich et al.
JOURNAL OF MOLECULAR BIOLOGY (2003)
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
RX Wang et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2002)
Ligand-Protein DataBase: Linking protein-ligand complex structures to binding data
O Roche et al.
JOURNAL OF MEDICINAL CHEMISTRY (2001)
PDBsum: summaries and analyses of PDB structures
RA Laskowski
NUCLEIC ACIDS RESEARCH (2001)
The multiplicity of serotonin receptors: Uselessly diverse molecules or an embarrassment of riches?
BL Roth et al.
NEUROSCIENTIST (2000)
分享论文
