Structure activity relationship by NMR and by computer: a comparative study (Q44133180)

30 November 2017

Structure activity relationship by NMR and by computer: a comparative study (English)

1 reference

30 November 2017

7

Martin Karplus

1 reference

30 November 2017

Finton Sirockin

1

0 references

author name string

Christian Sich

2

1 reference

30 November 2017

Sabina Improta

3

1 reference

30 November 2017

Michael Schaefer

4

1 reference

30 November 2017

Vladimir Saudek

5

1 reference

30 November 2017

Nicolas Froloff

6

1 reference

30 November 2017

Annick Dejaegere

8

1 reference

30 November 2017

language of work or name

English

0 references

publication date

1 September 2002

1 reference

Journal of the American Chemical Society

30 November 2017

1 reference

30 November 2017

124

1 reference

30 November 2017

37

1 reference

30 November 2017

11073-11084

1 reference

Organic solvents identify specific ligand binding sites on protein surfaces

30 November 2017

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

A cytosolic binding protein for the immunosuppressant FK506 has peptidyl-prolyl isomerase activity but is distinct from cyclophilin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

New assay technologies for high-throughput screening

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Use of organic solvents and small molecules for locating binding sites on proteins in solutions

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Rapamycin (AY-22,989), a new antifungal antibiotic. II. Fermentation, isolation and characterization.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Rapamycin (AY-22,989), a new antifungal antibiotic. I. Taxonomy of the producing streptomycete and isolation of the active principle

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

A receptor for the immunosuppressant FK506 is a cis-trans peptidyl-prolyl isomerase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Virtual screening—an overview

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Proton and nitrogen sequential assignments and secondary structure determination of the human FK506 and rapamycin binding protein

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Design of dimerization inhibitors of HIV-1 aspartic proteinase: a computer-based combinatorial approach

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Development and validation of a genetic algorithm for flexible docking

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

LORE: exploiting database of known structures.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Efficient electrostatic solvation model for protein-fragment docking

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Determination of three-dimensional structures of proteins from interproton distance data by dynamical simulated annealing from a random array of atoms. Circumventing problems associated with folding

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Computational combinatorial ligand design: application to human alpha-thrombin.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Methods of conjugate gradients for solving linear systems

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Discovering high-affinity ligands for proteins: SAR by NMR

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Use of MCSS to design small targeted libraries: application to picornavirus ligands.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Hydrophobic bonding and accessible surface area in proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0265658

Identifiers

DOI

10.1021/JA0265658

1 reference

30 November 2017

1 reference