(Q33797738)

English

Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design.

scientific article

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

0 references

Michael G Lerner

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

Heather A Carlson

3

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

author name string

Kristin L Meagher

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

publication date

5 August 2008

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

22

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

10

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

727-736

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Exploring experimental sources of multiple protein conformations in structure-based drug design.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Characterization of protein-ligand interaction sites using experimental and computational methods

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Fragment-based lead discovery: leads by design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Assessing predictions of protein-protein interaction: the CAPRI experiment

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

The modular architecture of protein-protein binding interfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Fragment-based lead discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

A new, structurally nonredundant, diverse data set of protein-protein interfaces and its implications

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

The Database of Interacting Proteins: 2004 update

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Structure validation by Calpha geometry: phi,psi and Cbeta deviation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Analysing six types of protein-protein interfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Distinct molecular mechanism for initiating TRAF6 signalling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Unraveling hot spots in binding interfaces: progress and challenges

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

DIP, the Database of Interacting Proteins: a research tool for studying cellular networks of protein interactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Developing a dynamic pharmacophore model for HIV-1 integrase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Two binding modes reveal flexibility in kinase/response regulator interactions in the bacterial chemotaxis pathway

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Principles of protein-protein interactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

The computer program LUDI: a new method for the de novo design of enzyme inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

4 July 2018

Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Cation-pi interactions in protein-protein interfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Functionality maps of the ATP binding site of DNA gyrase B: generation of a consensus model of ligand binding.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Fragment-Based Drug Discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Structure activity relationship by NMR and by computer: a comparative study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Functionality maps of binding sites: a multiple copy simultaneous search method

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

The impact of protein flexibility on protein-protein docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2856601

30 October 2018

Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case

1 reference

https://pubmed.ncbi.nlm.nih.gov/18679808

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase

1 reference

https://pubmed.ncbi.nlm.nih.gov/18679808

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Morphology of protein-protein interfaces.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18679808

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Systematic analysis of structural data as a research technique in organic chemistry

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/AR00089A001

5 March 2023

Identifiers

10.1007/S10822-008-9231-6

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

DBLP publication ID

journals/jcamd/LernerMC08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18679808%20AND%20SRC:MED&resulttype=core&format=json

11 January 2020

ResearchGate publication ID

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