(Q30165525)

9 June 2017

Functional group placement in protein binding sites: a comparison of GRID and MCSS. (English)

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9 June 2017

4

M Karplus

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9 June 2017

R Bitetti-Putzer

1

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9 June 2017

D Joseph-McCarthy

series ordinal

2

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9 June 2017

J M Hogle

series ordinal

3

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9 June 2017

language of work or name

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1 October 2001

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Journal of Computer - Aided Molecular Design

9 June 2017

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9 June 2017

15

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9 June 2017

935-960

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9 June 2017

10

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Use of the multiple copy simultaneous search (MCSS) method to design a new class of picornavirus capsid binding drugs.

9 June 2017

1 reference

12 December 2020

Molecular basis for the binding of SH3 ligands with non-peptide elements identified by combinatorial synthesis

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12 December 2020

Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design

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12 December 2020

Structural analysis of a series of antiviral agents complexed with human rhinovirus 14.

1 reference

12 December 2020

Structure of a human common cold virus and functional relationship to other picornaviruses

1 reference

12 December 2020

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

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12 December 2020

HOOK: a program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site

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12 December 2020

Three-dimensional structure of poliovirus at 2.9 A resolution.

1 reference

12 December 2020

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

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12 December 2020

Structural factors that control conformational transitions and serotype specificity in type 3 poliovirus

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12 December 2020

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

12 December 2020

An automated method for dynamic ligand design.

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12 December 2020

Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses

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12 December 2020

Ligand-induced conformational changes in poliovirus-antiviral drug complexes

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12 December 2020

All-atom empirical potential for molecular modeling and dynamics studies of proteins

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12 December 2020

A strategy for theoretical binding constant, Ki, calculations for neuraminidase aromatic inhibitors designed on the basis of the active site structure of influenza virus neuraminidase.

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

A study of the active site of influenza virus sialidase: an approach to the rational design of novel anti-influenza drugs

1 reference

12 December 2020

A structurally biased combinatorial approach for discovering new anti-picornaviral compounds

1 reference

12 December 2020

Crystallographic R factor refinement by molecular dynamics

1 reference

12 December 2020

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds

1 reference

12 December 2020

Binding of the antiviral drug WIN51711 to the sabin strain of type 3 poliovirus: structural comparison with drug binding in rhinovirus 14.

1 reference

12 December 2020

Design of enzyme inhibitors using iterative protein crystallographic analysis

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12 December 2020

Identifiers

DOI

10.1023/A:1014309222984

1 reference

journals/jcamd/Bitetti-PutzerJHK01

9 June 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

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