(Q33350276)

26 July 2017

CONFIRM: connecting fragments found in receptor molecules (English)

1 reference

26 July 2017

David C Thompson

1

0 references

author name string

R Aldrin Denny

2

1 reference

26 July 2017

Ramaswamy Nilakantan

3

1 reference

26 July 2017

Christine Humblet

4

1 reference

26 July 2017

Diane Joseph-McCarthy

5

1 reference

26 July 2017

Eric Feyfant

6

1 reference

26 July 2017

9 July 2008

1 reference

Journal of Computer - Aided Molecular Design

26 July 2017

1 reference

26 July 2017

22

1 reference

26 July 2017

10

1 reference

26 July 2017

761-772

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-008-9221-8

26 July 2017

0 references

cites work

Predicting synthetic accessibility: application in drug discovery and development

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-008-9221-8

A canonical structure for the ligand-binding domain of nuclear receptors

21 January 2018

1 reference

12 December 2020

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

1 reference

12 December 2020

The consequences of translational and rotational entropy lost by small molecules on binding to proteins.

1 reference

12 December 2020

Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid

1 reference

12 December 2020

Computer-based de novo design of drug-like molecules

1 reference

12 December 2020

SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions.

1 reference

12 December 2020

Critical review of the role of HTS in drug discovery

1 reference

12 December 2020

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design

1 reference

12 December 2020

Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma

1 reference

12 December 2020

Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening

1 reference

12 December 2020

High-throughput screening: new technology for the 21st century

1 reference

12 December 2020

Ligand efficiency: a useful metric for lead selection

1 reference

12 December 2020

Structure-based design of six novel classes of nonpeptide antagonists of the bradykinin B2 receptor

1 reference

12 December 2020

Virtual screening of chemical libraries

1 reference

12 December 2020

Design, Synthesis, and Evaluation of a Depsipeptide Mimic of Tendamistat

1 reference

12 December 2020

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

1 reference

12 December 2020

A critical assessment of docking programs and scoring functions

1 reference

12 December 2020

A family of ring system-based structural fragments for use in structure-activity studies: database mining and recursive partitioning

1 reference

12 December 2020

An automated method for dynamic ligand design.

1 reference

12 December 2020

CAVEAT: a program to facilitate the design of organic molecules

1 reference

12 December 2020

Lead optimization via high-throughput molecular docking

1 reference

12 December 2020

Integrating virtual screening in lead discovery

1 reference

12 December 2020

A novel approach to combinatorial library design

1 reference

12 December 2020

A branch-and-bound method for optimal atom-type assignment in de novo ligand design.

1 reference

12 December 2020

PRO-LIGAND: an approach to de novo molecular design. 1. Application to the design of organic molecules

1 reference

12 December 2020

Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors.

1 reference

12 December 2020

Fragment-based lead discovery

1 reference

12 December 2020

Comparison of experimental and computational functional group mapping of an RNase A structure: implications for computer-aided drug design

1 reference

12 December 2020

Conformational adaptation of agonists to the human nuclear receptor RAR gamma

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

The genesis of high-throughput structure-based drug discovery using protein crystallography

1 reference

12 December 2020

Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker search

1 reference

12 December 2020

SPROUT: a program for structure generation.

1 reference

12 December 2020

A novel computational tool for automated structure-based drug design

1 reference

12 December 2020

Discovering high-affinity ligands for proteins: SAR by NMR

1 reference

12 December 2020

Rational design of potent sialidase-based inhibitors of influenza virus replication

1 reference

12 December 2020

NMR in drug discovery

1 reference

12 December 2020

Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino-4H-pyran-6-carboxamides

1 reference

12 December 2020

A decade of fragment-based drug design: strategic advances and lessons learned

1 reference

12 December 2020

High-throughput crystallography for lead discovery in drug design.

1 reference

12 December 2020

Structural basis for engineering of retinoic acid receptor isotype-selective agonists and antagonists

1 reference

12 December 2020

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests

1 reference

12 December 2020

C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity

1 reference

12 December 2020

Fragment-based lead discovery: leads by design

1 reference

12 December 2020

A tricyclic ring system replaces the variable regions of peptides presented by three alleles of human MHC class I molecules

1 reference

12 December 2020

Fragment-based drug design: how big is too big?

1 reference

12 December 2020

Ligand efficiency indices as guideposts for drug discovery.

1 reference

12 December 2020

Computational approaches to structure-based ligand design

1 reference

12 December 2020

Structural basis for isotype selectivity of the human retinoic acid nuclear receptor

1 reference

12 December 2020

Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4.

1 reference

12 December 2020

Is there a difference between leads and drugs? A historical perspective

1 reference

12 December 2020

Virtual hydrocarbon and combinatorial databases for use with CAVEAT.

1 reference

12 December 2020

Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B

1 reference

12 December 2020

On the attribution and additivity of binding energies

1 reference

12 December 2020

A fresh look at pharmaceutical screening library design

1 reference

12 December 2020

10.1007/S10822-008-9221-8

Identifiers

DOI

1 reference

journals/jcamd/ThompsonDNHJF08

26 July 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference