(Q30342415)

20 June 2017

3 references

8 April 2021

22 August 2022

Utility of homology models in the drug discovery process. (English)

1 reference

20 June 2017

main subject

computational biology

1 reference

8 April 2021

1 reference

3

0 references

author name string

Alexander Hillisch

series ordinal

1

1 reference

20 June 2017

Luis Felipe Pineda

series ordinal

2

1 reference

20 June 2017

publication date

1 August 2004

3 references

20 June 2017

8 April 2021

22 August 2022

3 references

20 June 2017

8 April 2021

22 August 2022

9

1 reference

20 June 2017

issue

15

1 reference

20 June 2017

page(s)

659-669

1 reference

RU486 is not an antiprogestin in the hamster

20 June 2017

cites work

1 reference

12 December 2020

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

1 reference

12 December 2020

Molecular Modelling of CYP2B6 Based on Homology with the CYP2C5 Crystal Structure: Analysis of Enzyme-Substrate Interactions

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12 December 2020

Predicting undesirable drug interactions with promiscuous proteins in silico

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12 December 2020

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

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12 December 2020

SCOP: a structural classification of proteins database for the investigation of sequences and structures

1 reference

12 December 2020

Databases for protein-ligand complexes

1 reference

12 December 2020

A molecular model of CYP2D6 constructed by homology with the CYP2C5 crystallographic template: investigation of enzyme-substrate interactions

1 reference

12 December 2020

Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: enzyme-substrate interactions and QSARs for binding affinity and inhibition

1 reference

12 December 2020

Rational discovery of novel nuclear hormone receptor antagonists

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12 December 2020

Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where indu

1 reference

12 December 2020

The protein kinase complement of the human genome

1 reference

12 December 2020

Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches

1 reference

12 December 2020

Inhibition of the p53-hdm2 interaction with low molecular weight compounds

1 reference

12 December 2020

Competitive CYP2C9 inhibitors: enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis

1 reference

12 December 2020

Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site

1 reference

12 December 2020

Investigation of enzyme selectivity in the human CYP2C subfamily: homology modelling of CYP2C8, CYP2C9 and CYP2C19 from the CYP2C5 crystallographic template

1 reference

12 December 2020

A structural basis for drug-induced long QT syndrome

1 reference

12 December 2020

MODBASE, a database of annotated comparative protein structure models, and associated resources.

1 reference

12 December 2020

Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design

1 reference

12 December 2020

Progress in protein structure prediction

1 reference

12 December 2020

Design and synthesis of novel tyrosine kinase inhibitors using a pharmacophore model of the ATP-binding site of the EGF-R.

1 reference

12 December 2020

Targeting aurora2 kinase in oncogenesis: a structural bioinformatics approach to target validation and rational drug design.

1 reference

12 December 2020

Comparative protein modelling by satisfaction of spatial restraints

1 reference

12 December 2020

Assessment of homology-based predictions in CASP5.

1 reference

12 December 2020

A single amino acid that determines the sensitivity of progesterone receptors to RU486.

1 reference

12 December 2020

Molecular basis of P450 inhibition and activation: implications for drug development and drug therapy

1 reference

12 December 2020

Crystal structure of human cytochrome P450 2C9 with bound warfarin

1 reference

12 December 2020

Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor

1 reference

12 December 2020

Modern methods of drug discovery: an introduction

1 reference

12 December 2020

Inhibition of the p53-MDM2 interaction: targeting a protein-protein interface.

1 reference

12 December 2020

Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

1 reference

12 December 2020

The relation between the divergence of sequence and structure in proteins

2 references

12 December 2020

Crossref

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2903196-4

7 January 2021

inferred from DOI database lookup

CASP5 assessment of fold recognition target predictions

1 reference

12 December 2020

Dissecting physiological roles of estrogen receptor alpha and beta with potent selective ligands from structure-based design

1 reference

12 December 2020

Impact of isotype-selective estrogen receptor agonists on ovarian function

1 reference

12 December 2020

Crystal structure of rhodopsin: A G protein-coupled receptor

1 reference

12 December 2020

LigBase: a database of families of aligned ligand binding sites in known protein sequences and structures.

1 reference

12 December 2020

Structure-based generation of a new class of potent Cdk4 inhibitors: new de novo design strategy and library design

1 reference

12 December 2020

Structure-based design of specific inhibitors of Janus kinase 3 as apoptosis-inducing antileukemic agents

1 reference

12 December 2020

Synthesis and evaluation of imidazole acetic acid inhibitors of activated thrombin-activatable fibrinolysis inhibitor as novel antithrombotics

1 reference

12 December 2020

Design of helical proteins for real-time endoprotease assays

1 reference

12 December 2020

Homology modelling of human CYP1A2 based on the CYP2C5 crystallographic template structure.

1 reference

12 December 2020

Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs

1 reference

12 December 2020

Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes

1 reference

12 December 2020

Use of a drug-resistant mutant of stress-activated protein kinase 2a/p38 to validate the in vivo specificity of SB 203580.

1 reference

12 December 2020

A new method to detect related function among proteins independent of sequence and fold homology.

1 reference

12 December 2020

Modeling the 3D structure of GPCRs: advances and application to drug discovery

1 reference

12 December 2020

Rational design of potent and selective EGFR tyrosine kinase inhibitors as anticancer agents

1 reference

12 December 2020

Rational design and synthesis of a novel anti-leukemic agent targeting Bruton's tyrosine kinase (BTK), LFM-A13 [alpha-cyano-beta-hydroxy-beta-methyl-N-(2, 5-dibromophenyl)propenamide]

1 reference

12 December 2020

The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor

1 reference

12 December 2020

The role of protein 3D-structures in the drug discovery process.

1 reference

12 December 2020

A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6

1 reference

12 December 2020

Drug-like properties and the causes of poor solubility and poor permeability

1 reference

12 December 2020

Inferring functional relationships of proteins from local sequence and spatial surface patterns

1 reference

12 December 2020

A scoring scheme for discriminating between drugs and nondrugs.

1 reference

12 December 2020

Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain

1 reference

12 December 2020

Molecular modeling of human cytochrome P450-substrate interactions

1 reference

12 December 2020

Insights from a three-dimensional model into ligand binding to constitutive active receptor

1 reference

12 December 2020

Establishment and functional validation of a structural homology model for human DNA methyltransferase 1.

1 reference

12 December 2020

1 reference

12 December 2020

Structural bioinformatics in drug discovery

1 reference

12 December 2020

PDBsum: summaries and analyses of PDB structures

1 reference

12 December 2020

A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening.

1 reference

12 December 2020

Characterization of a novel coronavirus associated with severe acute respiratory syndrome

1 reference

12 December 2020

The SWISS-MODEL Repository of annotated three-dimensional protein structure homology models

1 reference

12 December 2020

Structure-assisted design of mechanism-based irreversible inhibitors of human rhinovirus 3C protease with potent antiviral activity against multiple rhinovirus serotypes

1 reference

12 December 2020

Prediction of 'drug-likeness'.

1 reference

12 December 2020

Nuclear hormone receptor targeted virtual screening

1 reference

12 December 2020

Modelling human cytochromes P450 involved in drug metabolism from the CYP2C5 crystallographic template

1 reference

12 December 2020

Prediction of drug metabolism: the case of cytochrome P450 2D6.

1 reference

12 December 2020

Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist

1 reference

12 December 2020

Docking ligands onto binding site representations derived from proteins built by homology modelling.

1 reference

12 December 2020

Transcriptional repressor CopR: structure model-based localization of the deoxyribonucleic acid binding motif

1 reference

12 December 2020

Performance of 3D-database molecular docking studies into homology models

1 reference

12 December 2020

A structural model of the constitutive androstane receptor defines novel interactions that mediate ligand-independent activity

1 reference

12 December 2020

Structure-guided transformation of charybdotoxin yields an analog that selectively targets Ca(2+)-activated over voltage-gated K(+) channels.

1 reference

12 December 2020

Prediction of human drug metabolizing enzyme induction

1 reference

12 December 2020

Chemogenomics: an emerging strategy for rapid target and drug discovery

1 reference

12 December 2020

10.1016/S1359-6446(04)03196-4

Identifiers

DOI

1 reference

20 June 2017

0 references

1 reference