FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure (Q30420637)

21 June 2017

title

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

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21 June 2017

Miller MD

1

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21 June 2017

Kearsley SK

series ordinal

2

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21 June 2017

Underwood DJ

series ordinal

3

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21 June 2017

Sheridan RP

series ordinal

4

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21 June 2017

publication date

1 April 1994

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Journal of Computer - Aided Molecular Design

21 June 2017

published in

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21 June 2017

volume

8

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21 June 2017

issue

2

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21 June 2017

page(s)

153-174

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Docking by least-squares fitting of molecular surface patterns

21 June 2017

cites work

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12 December 2020

Structure-based strategies for drug design and discovery

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12 December 2020

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

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12 December 2020

Atomic solvation parameters applied to molecular dynamics of proteins in solution

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Docking flexible ligands to macromolecular receptors by molecular shape

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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. II. Environment of bound NADPH and implications for catalysis.

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

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12 December 2020

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

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12 December 2020

A geometric approach to macromolecule-ligand interactions

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Structure-based discovery of inhibitors of thymidylate synthase

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12 December 2020

Automated docking of substrates to proteins by simulated annealing

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12 December 2020

Orientational sampling and rigid-body minimization in molecular docking

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12 December 2020

Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design

1 reference

12 December 2020

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

1 reference

12 December 2020

An approach to computer-aided inhibitor design: application to cathepsin L

1 reference

12 December 2020

"Soft docking": matching of molecular surface cubes

1 reference

12 December 2020

Design and synthesis of P2-P1'-linked macrocyclic human renin inhibitors

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12 December 2020

Identifiers

DOI

10.1007/BF00119865

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journals/jcamd/MillerKUS94

21 June 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

28 January 2021

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