(Q33443633)

26 July 2017

1 reference

title

Recent advances in computer-aided drug design (English)

1 reference

26 July 2017

Chun Meng Song

1

1 reference

PubMed ID

19433475

26 July 2017

Shen Jean Lim

series ordinal

2

1 reference

PubMed ID

19433475

26 July 2017

Joo Chuan Tong

series ordinal

3

1 reference

26 July 2017

11 May 2009

1 reference

Briefings in Bioinformatics

26 July 2017

1 reference

26 July 2017

10

1 reference

26 July 2017

579-591

1 reference

26 July 2017

5

1 reference

The price of innovation: new estimates of drug development costs

26 July 2017

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

21 January 2018

How many leads from HTS?

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Molecular complexity and its impact on the probability of finding leads for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Is there a difference between leads and drugs? A historical perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Virtual ligand screening: strategies, perspectives and limitations

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Role of the development scientist in compound lead selection and optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Recent development and application of virtual screening in drug discovery: an overview

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Structural biology and drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Topical dorzolamide for the treatment of cystoid macular edema in patients with retinitis pigmentosa

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Molecular Biology Database Collection: 2007 update

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

ChemDB: a public database of small molecules and related chemoinformatics resources

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

LIGAND: database of chemical compounds and reactions in biological pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Natural products and combinatorial chemistry: back to the future

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

DrugBank: a comprehensive resource for in silico drug discovery and exploration

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

DNA Data Bank of Japan (DDBJ) for genome scale research in life science

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The EMBL Nucleotide Sequence Database

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

High-quality protein knowledge resource: SWISS-PROT and TrEMBL.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Protein Information Resource: an integrated public resource of functional annotation of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Protein Data Bank: unifying the archive

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

POWER: PhylOgenetic WEb Repeater--an integrated and user-optimized framework for biomolecular phylogenetic analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Gene-Expression Omnibus integration and clustering tools in SeqExpress.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

SWISS-2DPAGE, ten years later

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

GELBANK: a database of annotated two-dimensional gel electrophoresis patterns of biological systems with completed genomes

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The need for a public proteomics repository.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Open source system for analyzing, validating, and storing protein identification data

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

METLIN: a metabolite mass spectral database

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Biomolecular Interaction Network Database and related tools 2005 update

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Human protein reference database as a discovery resource for proteomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

IntAct--open source resource for molecular interaction data

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

TRED: a transcriptional regulatory element database, new entries and other development

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

dbPTM: an information repository of protein post-translational modification

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Annotation of post-translational modifications in the Swiss-Prot knowledge base

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The KEGG resource for deciphering the genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Combinatorial library design for diversity, cost efficiency, and drug-like character

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Combinatorial informatics in the post-genomics ERA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Implementation of a system for reagent selection and library enumeration, profiling, and design

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Initial sequencing and analysis of the human genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A new approach to protein fold recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Pair potentials for protein folding: choice of reference states and sensitivity of predicted native states to variations in the interaction schemes

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Methods and protocols for prediction of immunogenic epitopes

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Comparative protein modelling by satisfaction of spatial restraints

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

How different amino acid sequences determine similar protein structures: the structure and evolutionary dynamics of the globins

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

All are not equal: a benchmark of different homology modeling programs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

SWISS-MODEL: An automated protein homology-modeling server

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Accurate modeling of protein conformation by automatic segment matching

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Modeling structurally variable regions in homologous proteins with rosetta.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Novel human lipoxygenase inhibitors discovered using virtual screening with homology models

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Kinases, Homology Models, and High Throughput Docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The human proteomics initiative (HPI).

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The art and practice of structure-based drug design: A molecular modeling perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Structure-based virtual screening: an overview

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Identification of protein-protein interaction sites from docking energy landscapes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A review of protein-small molecule docking methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Comparative evaluation of eight docking tools for docking and virtual screening accuracy

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Amber biomolecular simulation programs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Knowledge-based scoring function to predict protein-ligand interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Potential drugs and nondrugs: prediction and identification of important structural features

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Assessing different classification methods for virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Virtual screening of molecular databases using a support vector machine.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Mapping algorithms for molecular similarity analysis and ligand-based virtual screening: design of DynaMAD and comparison with MAD and DMC.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Design and evaluation of a novel class-directed 2D fingerprint to search for structurally diverse active compounds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Small molecule shape-fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Lead hopping using SVM and 3D pharmacophore fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Successful in silico discovery of novel nonsteroidal ligands for human sex hormone binding globulin

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Can we estimate the accuracy of ADME-Tox predictions?

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Pharmacogenetics, drug-metabolizing enzymes, and clinical practice

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Property distribution of drug-related chemical databases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

A comparison of physiochemical property profiles of development and marketed oral drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Recent advances in computational prediction of drug absorption and permeability in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Prediction of human intestinal absorption of drug compounds from molecular structure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA).

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Prediction of Caco-2 cell permeability using a combination of MO-calculation and neural network.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Designing libraries with CNS activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Assessment of protein models with three-dimensional profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Hidden Markov models that use predicted local structure for fold recognition: alphabets of backbone geometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

CLEVER: pipeline for designing in silico chemical libraries.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Databases for protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Strategies for generating less toxic P-selectin inhibitors: pharmacophore modeling, virtual screening and counter pharmacophore screening to remove toxic hits

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Principles of docking: An overview of search algorithms and a guide to scoring functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation†

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Signalling the fat controller

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIB%2FBBP023

The Blue Obelisk-interoperability in chemical informatics

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI050400B

30 October 2021

Identifiers

DOI

10.1093/BIB/BBP023

1 reference

26 July 2017

journals/bib/SongLT09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

19433475