(Q29541293)

https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

author name string

W.Patrick Walters

series ordinal

1

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

Matthew T Stahl

series ordinal

2

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

Mark A Murcko

series ordinal

3

1 reference

https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

publication date

April 1998

1 reference

https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

volume

3

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

issue

4

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

page(s)

160-178

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https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

Applications of combinatorial technologies to drug discovery. 1. Background and peptide combinatorial libraries

22 April 2017

cites work

1 reference

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7 January 2021

Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies, and future directions

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7 January 2021

Parallel-compound synthesis: methodology for accelerating drug discovery

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7 January 2021

The combinatorial synthesis and chemical and biological evaluation of a 1,4-benzodiazepine library

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7 January 2021

Encoded combinatorial chemistry: synthesis and screening of a library of highly functionalized pyrrolidines

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7 January 2021

A paradigm for drug discovery employing encoded combinatorial libraries

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7 January 2021

The properties of known drugs. 1. Molecular frameworks

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7 January 2021

Computational methods to predict binding free energy in ligand-receptor complexes

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7 January 2021

Measuring diversity: experimental design of combinatorial libraries for drug discovery

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7 January 2021

Evolutionary algorithms in computer-aided molecular design

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7 January 2021

Genetic algorithms in molecular recognition and design

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7 January 2021

SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility

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7 January 2021

Topological approach to drug design

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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

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

1 reference

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7 January 2021

HINT: a new method of empirical hydrophobic field calculation for CoMFA.

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7 January 2021

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7 January 2021

The measurement of molecular diversity: a three-dimensional approach

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7 January 2021

Design considerations and computer modeling related to the development of molecular scaffolds and peptide mimetics for combinatorial chemistry

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7 January 2021

Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compounds.

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7 January 2021

Flexibases: a way to enhance the use of molecular docking methods

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7 January 2021

An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility

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7 January 2021

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations.

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7 January 2021

Docking small-molecule ligands into active sites

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7 January 2021

Docking flexible ligands to macromolecular receptors by molecular shape

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7 January 2021

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

1 reference

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7 January 2021

Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid

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7 January 2021

Matching chemistry and shape in molecular docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

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

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7 January 2021

New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure

1 reference

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7 January 2021

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

An automated method for dynamic ligand design.

1 reference

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7 January 2021

Flexible ligand docking using a genetic algorithm.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Development and validation of a genetic algorithm for flexible docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

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7 January 2021

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

1 reference

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7 January 2021

A fast flexible docking method using an incremental construction algorithm.

1 reference

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7 January 2021

PRO_SELECT: combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

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7 January 2021

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

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7 January 2021

Computational screening of combinatorial libraries

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7 January 2021

Searching for pharmacophores in large coordinate data bases and its use in drug design

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7 January 2021

A fast and efficient method for 2D and 3D molecular shape description

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7 January 2021

New molecular shape descriptors: application in database screening

1 reference

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7 January 2021

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

1 reference

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7 January 2021

Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions

1 reference

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7 January 2021

Hydration in drug design. 2. Influence of local site surface shape on water binding

1 reference

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7 January 2021

Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.

1 reference

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7 January 2021

Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces.

1 reference

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7 January 2021

Hydrogen bonding in globular proteins

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Semianalytical treatment of solvation for molecular mechanics and dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

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%2FS1359-6446%2897%2901163-X

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Atomic solvation parameters applied to molecular dynamics of proteins in solution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Receptor surface models. 1. Definition and construction

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

Energetic and entropic factors determining binding affinity in protein-ligand complexes

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

SPROUT: recent developments in the de novo design of molecules

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https://api.crossref.org/works/10.1016%2FS1359-6446%2897%2901163-X

7 January 2021

10.1016/S1359-6446(97)01163-X

Identifiers

DOI

2 references

https://doi.org/10.1016%2FS1359-6446%2897%2901163-X

22 April 2017

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

929672

OpenCitations bibliographic resource ID

929672

1 reference