Flexible ligand docking using conformational ensembles (Q24673137)

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

The structure of a complex between the NC10 antibody and influenza virus neuraminidase and comparison with the overlapping binding site of the NC41 antibody

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Plastic adaptation toward mutations in proteins: structural comparison of thymidylate synthases

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

The Protein Data Bank: a computer-based archival file for macromolecular structures

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Development and validation of a genetic algorithm for flexible docking

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structure-based discovery of inhibitors of thymidylate synthase

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Computer analysis of protein-protein interaction

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Predicting the structure of protein complexes: a step in the right direction

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Soluble proteins: size, shape and function

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structure-based inhibitor design by using protein models for the development of antiparasitic agents

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structural and kinetic characterization of a beta-lactamase-inhibitor protein

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

A geometric approach to macromolecule-ligand interactions

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Automated docking of substrates to proteins by simulated annealing

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Computer design of bioactive molecules: a method for receptor-based de novo ligand design

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Structure-based strategies for drug design and discovery

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Prediction of chain turns in globular proteins on a hydrophobic basis

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Protein-protein recognition

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

An automated method for dynamic ligand design.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Inhibition of the fusion-inducing conformational change of influenza hemagglutinin by benzoquinones and hydroquinones

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Flexible ligand docking using a genetic algorithm.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Docking flexible ligands to macromolecular receptors by molecular shape

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

"Soft docking": matching of molecular surface cubes

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

An integrated approach to three-dimensional information management with MACCS-3D.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Protein docking and complementarity

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Monte Carlo docking of oligopeptides to proteins.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Prediction of the structure of a receptor-protein complex using a binary docking method

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Exploring the energy landscapes of molecular recognition by a genetic algorithm: analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

A fast flexible docking method using an incremental construction algorithm.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Matching chemistry and shape in molecular docking

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

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

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143983

Fitting an inhibitor into the active site of thermolysin: a molecular dynamics case study

28 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9568900

12 December 2020

inferred from PubMed ID database lookup

Design and synthesis of new enzymes based on the lactate dehydrogenase framework

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9568900

12 December 2020

inferred from PubMed ID database lookup

Shape complementarity at the hemoglobin alpha 1 beta 1 subunit interface

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9568900

12 December 2020

inferred from PubMed ID database lookup

A combinatorial algorithm for calculating ligand binding

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Molecular docking using shape descriptors

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Automated docking with grid-based energy evaluation

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Automated docking of flexible ligands: applications of AutoDock

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Refined crystal structure of dogfish M4 apo-lactate dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Automated site-directed drug design using molecular lattices

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Calculation of electrostatic potentials in an enzyme active site

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

A potent new mode of beta-lactamase inhibition revealed by the 1.7 A X-ray crystallographic structure of the TEM-1-BLIP complex.

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Analytical molecular surface calculation

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560070411

7 January 2021

Identifiers

DOI

10.1002/PRO.5560070411

1 reference

1 reference

1 reference

PubMed publication ID

9568900

1 reference