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。Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Alexander Pflug et al.
BIOCHEMICAL JOURNAL (2011)
fconv: format conversion, manipulation and feature computation of molecular data
Gerd Neudert et al.
BIOINFORMATICS (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)
Impact of high-throughput screening in biomedical research
Ricardo Macarron et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: Binding of phosphonamidate to the S1′-pocket of thermolysin
L. Englert et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2010)
Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: Implications for the design of antifungal agents
Cele Abad-Zapatero et al.
PROTEIN SCIENCE (2010)
Transforming fragments into candidates: small becomes big in medicinal chemistry
Gerdien E. de Kloe et al.
DRUG DISCOVERY TODAY (2009)
Think Twice: Understanding the High Potency of Bis(phenyl)methane Inhibitors of Thrombin
Bernhard Baum et al.
JOURNAL OF MOLECULAR BIOLOGY (2009)
Crystallography-independent determination of ligand binding modes
Julien Orts et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
ABT-263: A potent and orally bioavailable Bcl-2 family inhibitor
Christin Tse et al.
CANCER RESEARCH (2008)
A short history of SHELX
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)
Discovery of a novel warhead against β-secretase through fragment-based lead generation
Stefan Geschwindner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2007)
A decade of fragment-based drug design: strategic advances and lessons learned
Philip J. Hajduk et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
C Mattos et al.
JOURNAL OF MOLECULAR BIOLOGY (2006)
Biosensor-based screening and characterization of HIV-1 inhibitor interactions with Sap 1, Sap 2, and Sap 3 from Candida albicans
D Backman et al.
JOURNAL OF BIOMOLECULAR SCREENING (2006)
DrugScoreCSD-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction
HFG Velec et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength
C Mueller-Dieckmann et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2005)
Structural analysis of a set of proteins resulting from a bacterial genomics project
J Badger et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)
Key aspects of the novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection
E Jacoby et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2005)
Likelihood-enhanced fast rotation functions
LC Storoni et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Fragment-based lead discovery
DC Rees et al.
NATURE REVIEWS DRUG DISCOVERY (2004)
Theory and applications of NMR-based screening in pharmaceutical research
CA Lepre et al.
CHEMICAL REVIEWS (2004)
Coot:: model-building tools for molecular graphics
P Emsley et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Fragment-based drug discovery
DA Erlanson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Atomic resolution analysis of the catalytic site of an aspartic proteinase and an unexpected mode of binding by short peptides
PT Erskine et al.
PROTEIN SCIENCE (2003)
Drugs, leads, and drug-likeness: An analysis of some recently launched drugs
JR Proudfoot
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2002)
Structure-based screening of low-affinity compounds
R Carr et al.
DRUG DISCOVERY TODAY (2002)
Unraveling hot spots in binding interfaces: progress and challenges
WL DeLano
CURRENT OPINION IN STRUCTURAL BIOLOGY (2002)
Is there a difference between leads and drugs? A historical perspective
TI Oprea et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)
Structure of 4-diphosphocytidyl-2-C-methylerythritol synthetase involved in mevalonate-independent isoprenoid biosynthesis
SB Richard et al.
NATURE STRUCTURAL BIOLOGY (2001)
Experimental and computational mapping of the binding surface of a crystalline protein
AC English et al.
PROTEIN ENGINEERING (2001)
Knowledge-based scoring function to predict protein-ligand interactions
H Gohlke et al.
JOURNAL OF MOLECULAR BIOLOGY (2000)