(Q41112862)

26 September 2017

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title

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

1 reference

26 September 2017

Shoichet BK

1

1 reference

PubMed ID

8807840

26 September 2017

Kuntz ID

series ordinal

2

1 reference

PubMed ID

8807840

26 September 2017

language of work or name

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1 March 1996

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26 September 2017

Chemistry and Biology

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26 September 2017

3

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26 September 2017

151-156

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26 September 2017

3

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THE NATURE OF THE INTERMOLECULAR FORCES OPERATIVE IN BIOLOGICAL PROCESSES

26 September 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Shape complementarity at the hemoglobin alpha 1 beta 1 subunit interface

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

The packing of α-helices: simple coiled-coils

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Computer analysis of protein-protein interaction

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Computer studies of interactions between macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Protein docking and complementarity

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Protein-protein recognition analyzed by docking simulation.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Detailed ab initio prediction of lysozyme-antibody complex with 1.6 A accuracy.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

"Soft docking": matching of molecular surface cubes

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

A multiple-start Monte Carlo docking method.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Monte Carlo docking of oligopeptides to proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Docking by least-squares fitting of molecular surface patterns

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Molecular surface recognition by a computer vision-based technique.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Automated docking of substrates to proteins by simulated annealing

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

A continuum model for protein-protein interactions: application to the docking problem.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Calculation of the free energy of association for protein complexes

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Solvent-accessible surfaces of proteins and nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Calculation of electrostatic potentials in an enzyme active site

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Can the stability of protein mutants be predicted by free energy calculations?

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Improved methods for building protein models in electron density maps and the location of errors in these models

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

De novo design of enzyme inhibitors by Monte Carlo ligand generation

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Rigid-body docking with mutant constraints of influenza hemagglutinin with antibody HC19.

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Structure-based design of inhibitors of purine nucleoside phosphorylase. 1. 9-(arylmethyl) derivatives of 9-deazaguanine

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Design of enzyme inhibitors using iterative protein crystallographic analysis

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

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/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

23 Theoretical calculations of relative affinities of binding

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Automated site-directed drug design using molecular lattices

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Analogous inhibitors of elastase do not always bind analogously

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

Structure-based discovery of inhibitors of thymidylate synthase

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1074-5521%2896%2990256-2

7 January 2021

10.1016/S1074-5521(96)90256-2

Identifiers

DOI

1 reference

26 September 2017

1 reference

PubMed ID

8807840