(Q28259532)

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

0 references

1 reference

3

Tom L. Blundell

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

3

Tom L Blundell

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author name string

Miles Congreve

series ordinal

1

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

Christopher W Murray

series ordinal

2

0 references

Christopher W. Murray

series ordinal

2

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

language of work or name

English

0 references

publication date

1 July 2005

0 references

July 2005

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

volume

10

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

issue

13

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https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

26 March 2017

page(s)

895-907

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https://doi.org/10.1016%2FS1359-6446%2805%2903484-7

Compounds designed to fit a site of known structure in human haemoglobin

26 March 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The interaction of human haemoglobin with allosteric effectors as a model for drug-receptor interactions

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The coagulation cascade: initiation, maintenance, and regulation

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Three-dimensional structure, specificity and catalytic mechanism of renin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Science, art and drug discovery: a personal perspective

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A guide to drug discovery: The role of the medicinal chemist in drug discovery — then and now

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The BCR-ABL story: bench to bedside and back

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

18th Sir Hans Krebs lecture. Knowledge-based protein modelling and design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A structural model for the retroviral proteases.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A 3D-1D substitution matrix for protein fold recognition that includes predicted secondary structure of the sequence

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Tertiary structural constraints on protein evolutionary diversity: templates, key residues and structure prediction

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Alignment and searching for common protein folds using a data bank of structural templates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

FUGUE: sequence-structure homology recognition using environment-specific substitution tables and structure-dependent gap penalties

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A new approach to protein fold recognition

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Identification of related proteins on family, superfamily and fold level.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

GenTHREADER: an efficient and reliable protein fold recognition method for genomic sequences

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Knowledge based modelling of homologous proteins, Part I: Three-dimensional frameworks derived from the simultaneous superposition of multiple structures

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Protein modelling for all

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Comparative protein modelling by satisfaction of spatial restraints

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Assessment of progress over the CASP experiments

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Kinases, Homology Models, and High Throughput Docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Interaction profiles of protein kinase-inhibitor complexes and their application to virtual screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Facilities and methods for the high-throughput crystal structural analysis of human proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structural genomics. Tapping DNA for structures produces a trickle

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput crystallography at an affordable cost: the TB Structural Genomics Consortium Crystallization Facility

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structural genomics of the Thermotoga maritima proteome implemented in a high-throughput structure determination pipeline

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput protein expression for the post-genomic era.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput, genome-scale protein production method based on the wheat germ cell-free expression system

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

An automated method for high-throughput protein purification applied to a comparison of His-tag and GST-tag affinity chromatography

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput protein crystallization

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Protein crystallization for genomics: towards high-throughput optimization techniques

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput crystallization and structure determination in drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The prospects of protein nanocrystallography

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Automated crystal mounting and data collection for protein crystallography

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

[37] Patterson superposition and ab initio phasing

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Optimizing Shake-and-Bake for proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Current state of automated crystallographic data analysis.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Heterogeneity and inaccuracy in protein structures solved by X-ray crystallography.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The PROSITE database, its status in 1999

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Three-dimensional structure analysis of PROSITE patterns

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Analysis of the steric strain in the polypeptide backbone of protein molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Prediction of protein secondary structure and active sites using the alignment of homologous sequences

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Domain closure in mitochondrial aspartate aminotransferase

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Protein structural alignments and functional genomics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Evolutionary predictions of binding surfaces and interactions.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Distinguishing structural and functional restraints in evolution in order to identify interaction sites

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Combinatorial chemistry and high-throughput screening in drug discovery: different strategies and formats

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Comprehensive survey of combinatorial library synthesis: 2003.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

1 reference

7 January 2021

A review of protein-small molecule docking methods

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A new test set for validating predictions of protein-ligand interaction.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Docking and scoring in virtual screening for drug discovery: methods and applications

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Lead discovery using molecular docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Integration of virtual and high-throughput screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structure-based virtual screening: an overview

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

High-throughput docking for lead generation

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Molecular docking to ensembles of protein structures

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

SDOCKER: a method utilizing existing X-ray structures to improve docking accuracy

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Flexible docking under pharmacophore type constraints

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Soft docking and multiple receptor conformations in virtual screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Predictions of protein flexibility: first-order measures

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

FlexE: efficient molecular docking considering protein structure variations.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Recent advances in de novo design strategy for practical lead identification

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A validation study on the practical use of automated de novo design.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structure-based library design: molecular modelling merges with combinatorial chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Mapping the kinase domain of Janus Kinase 3.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Ligand efficiency: a useful metric for lead selection

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Discovering high-affinity ligands for proteins: SAR by NMR

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Discovering novel ligands for macromolecules using X-ray crystallographic screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structure-based screening of low-affinity compounds

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Fragment-based lead discovery using X-ray crystallography.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Fragment-based lead discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Fragment-Based Drug Discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

New lead generation strategies for protein kinase inhibitors - fragment based screening approaches

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A small molecule-kinase interaction map for clinical kinase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Design of potent competitive inhibitors of angiotensin-converting enzyme. Carboxyalkanoyl and mercaptoalkanoyl amino acids

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Viracept (Nelfinavir Mesylate, AG1343): A Potent, Orally Bioavailable Inhibitor of HIV-1 Protease

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Rational design of potent sialidase-based inhibitors of influenza virus replication

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

The direct thrombin inhibitor melagatran and its oral prodrug H 376/95: intestinal absorption properties, biochemical and pharmacodynamic effects

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903484-7

7 January 2021

10.1016/S1359-6446(05)03484-7

Identifiers

DOI

1 reference

https://doi.org/10.1016%2FS1359-6446%2805%2903484-7