Structure-based drug design: progress, results and challenges (Q30419784)

21 June 2017

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title

Structure-based drug design: progress, results and challenges (English)

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21 June 2017

Verlinde CL

1

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21 June 2017

Hol WG

series ordinal

2

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21 June 2017

language of work or name

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1 July 1994

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21 June 2017

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21 June 2017

volume

2

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21 June 2017

issue

7

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21 June 2017

page(s)

577-587

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Overproduction of membrane proteins

21 June 2017

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Structure-based strategies for drug design and discovery

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7 January 2021

The limits of simulations

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

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Automated docking of substrates to proteins by simulated annealing

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Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation.

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GroupBuild: a fragment-based method for de novo drug design

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7 January 2021

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

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

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

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7 January 2021

A geometric approach to macromolecule-ligand interactions

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7 January 2021

Automated docking with grid-based energy evaluation

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7 January 2021

ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures

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7 January 2021

A multiple-start Monte Carlo docking method.

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7 January 2021

The development of versions 3 and 4 of the Cambridge Structural Database System

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7 January 2021

The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses.

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7 January 2021

GenStar: a method for de novo drug design.

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

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Automated site-directed drug design: the concept of spacer skeletons for primary structure generation.

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7 January 2021

The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes

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7 January 2021

Structure of the complex between trypanosomal triosephosphate isomerase and N‐hydroxy‐4‐phosphono‐butanamide: Binding at the active site despite an “open” flexible loop conformation

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7 January 2021

Ligand docking to proteins with discrete side-chain flexibility.

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7 January 2021

A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A

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7 January 2021

Effect of arildone on modifications of poliovirus in vitro

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7 January 2021

Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues

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7 January 2021

Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones

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7 January 2021

Structure of and kinetic channelling in bifunctional dihydrofolate reductase–thymidylate synthase

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7 January 2021

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

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7 January 2021

Analogous inhibitors of elastase do not always bind analogously

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7 January 2021

Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors

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7 January 2021

Peptide mimetics of the thrombin-bound structure of fibrinopeptide A

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7 January 2021

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

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7 January 2021

Crystal structure and ligand-binding studies of a screened peptide complexed with streptavidin

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7 January 2021

Structure-based design of inhibitors of purine nucleoside phosphorylase. 3. 9-Arylmethyl derivatives of 9-deazaguanine substituted on the methylene group

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7 January 2021

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

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7 January 2021

Three-dimensional structure of the FK506 binding protein/ascomycin complex in solution by heteronuclear three- and four-dimensional NMR

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7 January 2021

Human growth hormone and extracellular domain of its receptor: crystal structure of the complex

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7 January 2021

Crystal structure of the soluble human 55 kd TNF receptor-human TNF beta complex: implications for TNF receptor activation

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7 January 2021

Structure of the human class I histocompatibility antigen, HLA-A2

1 reference

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7 January 2021

Three-dimensional structure of the human class II histocompatibility antigen HLA-DR1.

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7 January 2021

The crisis in antibiotic resistance

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7 January 2021

Convergent combination therapy can select viable multidrug-resistant HIV-1 in vitro

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7 January 2021

The biochemistry of P-glycoprotein-mediated multidrug resistance

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7 January 2021

Amplification of a gene related to mammalian mdr genes in drug-resistant Plasmodium falciparum.

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7 January 2021

Molecular structure of the acyl-enzyme intermediate in beta-lactam hydrolysis at 1.7 A resolution

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7 January 2021

Vancomycin resistance: decoding the molecular logic

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7 January 2021

On the track of "killer" TB.

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7 January 2021

Tuberculosis: commentary on a reemergent killer

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7 January 2021

The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1

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7 January 2021

Turn-of-the-century electron microscopy

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7 January 2021

10.1016/S0969-2126(00)00060-5

Identifiers

DOI

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21 June 2017

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