(Q52401172)

1 May 2018

title

GenStar: a method for de novo drug design. (English)

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1 May 2018

author name string

S H Rotstein

series ordinal

1

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1 May 2018

M A Murcko

series ordinal

2

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1 May 2018

publication date

1 February 1993

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1 May 2018

Journal of Computer - Aided Molecular Design

published in

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1 May 2018

volume

7

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1 May 2018

issue

1

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1 May 2018

page(s)

23-43

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1 May 2018

https://scigraph.springernature.com/pub.10.1007/bf00141573

exact match

0 references

cites work

Electrostatic potentials of proteins. 1. Carboxypeptidase A

1 reference

12 December 2020

Energetics of complementary side-chain packing in a protein hydrophobic core

1 reference

12 December 2020

Knowledge-based prediction of protein structures and the design of novel molecules

1 reference

12 December 2020

Internal cavities and buried waters in globular proteins.

1 reference

12 December 2020

Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments

1 reference

12 December 2020

Solution Structure of FKBP, a Rotamase Enzyme and Receptor for FK506 and Rapamycin

1 reference

12 December 2020

Distance-constrained molecular docking by simulated annealing.

1 reference

12 December 2020

Molecular recognition. I. Automatic identification of topographic surface features

1 reference

12 December 2020

Automated site-directed drug design: the prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces

1 reference

12 December 2020

Solvent-accessible surfaces of proteins and nucleic acids

1 reference

12 December 2020

Rational design of peptide-based HIV proteinase inhibitors

1 reference

12 December 2020

Docking flexible ligands to macromolecular receptors by molecular shape

1 reference

12 December 2020

Refined structure of human carbonic anhydrase II at 2.0 A resolution

1 reference

12 December 2020

Automated site-directed drug design using molecular lattices

1 reference

12 December 2020

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

1 reference

12 December 2020

The inclusion of electrostatic hydration energies in molecular mechanics calculations

1 reference

12 December 2020

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

1 reference

12 December 2020

Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere

1 reference

12 December 2020

Weakly polar interactions in proteins.

1 reference

12 December 2020

Contributions of the large hydrophobic amino acids to the stability of staphylococcal nuclease

1 reference

12 December 2020

Where metal ions bind in proteins

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Contribution of hydrophobic interactions to protein stability

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH

1 reference

12 December 2020

Response of a protein structure to cavity-creating mutations and its relation to the hydrophobic effect

1 reference

12 December 2020

Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma

1 reference

12 December 2020

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

1 reference

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

1 reference

12 December 2020

Solution structure of the major binding protein for the immunosuppressant FK506

1 reference

12 December 2020

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

1 reference

12 December 2020

Stability of protein structure and hydrophobic interaction.

1 reference

12 December 2020

Prediction of protein structure

1 reference

12 December 2020

Proton n.m.r. spectroscopic evidence for sulfur-aromatic interactions in peptides

1 reference

12 December 2020

X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor

1 reference

12 December 2020

Atomic structure of FKBP-FK506, an immunophilin-immunosuppressant complex

1 reference

12 December 2020

Structure-activity relationships in engineered proteins: analysis of use of binding energy by linear free energy relationships

1 reference

12 December 2020

Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models

1 reference

12 December 2020

A novel method for the modelling of peptide ligands to their receptors

1 reference

12 December 2020

Database of homology-derived protein structures and the structural meaning of sequence alignment

1 reference

12 December 2020

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

1 reference

12 December 2020

Computer-aided drug design

1 reference

12 December 2020

Substrate specificity and affinity of a protein modulated by bound water molecules

1 reference

12 December 2020

Automated site-directed drug design: approaches to the formation of 3D molecular graphs.

1 reference

12 December 2020

Empirical correlation between hydrophobic free energy and aqueous cavity surface area

1 reference

12 December 2020

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

1 reference

12 December 2020

Automated docking of substrates to proteins by simulated annealing

1 reference

12 December 2020

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

1 reference

12 December 2020

Automated site-directed drug design: the formation of molecular templates in primary structure generation

1 reference

12 December 2020

Heat capacity changes and hydrophobic interactions in the binding of FK506 and rapamycin to the FK506 binding protein

1 reference

12 December 2020

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

1 reference

12 December 2020

The nature of the accessible and buried surfaces in proteins

1 reference

12 December 2020

Computer-assisted drug design. Part I. Conditions in the 1980s

1 reference

12 December 2020

Molecular modeling software and methods for medicinal chemistry

1 reference

12 December 2020

Crystallographic R factor refinement by molecular dynamics

1 reference

12 December 2020

Electrostatic complementarity in molecular associations

1 reference

12 December 2020

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

1 reference

12 December 2020

Design of enzyme inhibitors using iterative protein crystallographic analysis

1 reference

12 December 2020

NMR studies of molecular complexes as a tool in drug design

1 reference

12 December 2020

Systematic analysis of structural data as a research technique in organic chemistry

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/AR00089A001

5 March 2023

Identifiers

DOI

10.1007/BF00141573

1 reference

1 May 2018

journals/jcamd/RotsteinM93

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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1 May 2018