(Q40902451)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8483829%20AND%20SRC:MED&resulttype=core&format=json

13 October 2019

review article

1 reference

title

Strategies for indirect computer-aided drug design (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8483829%20AND%20SRC:MED&resulttype=core&format=json

13 October 2019

3

1 reference

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13 October 2019

author name string

G H Loew

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8483829%20AND%20SRC:MED&resulttype=core&format=json

13 October 2019

H O Villar

series ordinal

2

1 reference

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13 October 2019

publication date

1 April 1993

1 reference

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13 October 2019

published in

Pharmaceutical Research

1 reference

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13 October 2019

volume

10

1 reference

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13 October 2019

issue

4

1 reference

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13 October 2019

page(s)

475-486

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8483829%20AND%20SRC:MED&resulttype=core&format=json

MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties

13 October 2019

cites work

1 reference

12 December 2020

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12 December 2020

High directional Monte Carlo procedure coupled with the temperature heating and annealing as a method to obtain the global energy minimum structure of polypeptides and proteins

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12 December 2020

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12 December 2020

Theoretical study of the flexibility and solution conformation of the cyclic opioid peptides [D-Pen2,D-Pen5]enkephalin and [D-Pen2,L-Pen5]enkephalin

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12 December 2020

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12 December 2020

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12 December 2020

Quantum chemical studies on molecular determinants for drug action

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12 December 2020

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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12 December 2020

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12 December 2020

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

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12 December 2020

Theoretical and experimental studies of conformations of polypeptides

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12 December 2020

Three-dimensional structure-activity relationships

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12 December 2020

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12 December 2020

Free energy calculations by computer simulation

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12 December 2020

An analysis of current methodologies for conformational searching of complex molecules

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12 December 2020

Molecular electrostatic potentials for characterizing drug-biosystem interactions

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12 December 2020

Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

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12 December 2020

Three-dimensional models of neurotransmitter G-binding protein-coupled receptors

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12 December 2020

Treatment of electrostatic effects in macromolecular modeling

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12 December 2020

Molecular determinants of benzodiazepine receptor affinities and anticonvulsant activities

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12 December 2020

Molecular modeling software and methods for medicinal chemistry

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12 December 2020

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

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12 December 2020

29 Computer-assisted rational drug design

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12 December 2020

Characterization of low-energy conformational domains for Met-enkephalin

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12 December 2020

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

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12 December 2020

Microfolding: Conformational probability map for the alanine dipeptide in water from molecular dynamics simulations

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12 December 2020

Free energy via molecular simulation: applications to chemical and biomolecular systems

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12 December 2020