The maximal affinity of ligands (Q24682680)

19 October 2023

K Chen

series ordinal

2

author given names

K

author last names

Chen

1 reference

19 October 2023

K A Sharp

series ordinal

3

author given names

K A

author last names

Sharp

1 reference

19 October 2023

P A Kollman

series ordinal

4

author given names

P A

author last names

Kollman

1 reference

Proceedings of the National Academy of Sciences of the United States of America

19 October 2023

language of work or name

English

0 references

publication date

31 August 1999

0 references

published in

0 references

volume

96

0 references

issue

18

0 references

page(s)

9997-10002

0 references

cites work

Zaragozic acids: a family of fungal metabolites that are picomolar competitive inhibitors of squalene synthase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

What determines the strength of noncovalent association of ligands to proteins in aqueous solution?

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Design of potent selective zinc-mediated serine protease inhibitors

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Enzyme catalysis: not different, just better

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Discovering high-affinity ligands for proteins: SAR by NMR

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Anti-inflammatory 17beta-thioalkyl-16alpha,17alpha-ketal and -acetal androstanes: a new class of airway selective steroids for the treatment of asthma

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

[125I/127I]iodoHoechst 33342: synthesis, DNA binding, and biodistribution

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

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

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Functional group contributions to drug-receptor interactions.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Additivity principles in biochemistry

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Computation of electrostatic complements to proteins: a case of charge stabilized binding

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Halogenated mazindol analogs as potential inhibitors of the cocaine binding site at the dopamine transporter.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

HIV protease inhibitory bis-benzamide cyclic ureas: a quantitative structure-activity relationship analysis

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

New series of potent, orally bioavailable, non-peptidic cyclic sulfones as HIV-1 protease inhibitors

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

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

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Thermodynamics of absorption of xenon by myoglobin

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

The meaning of hydrophobicity

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Synthesis and evaluation of an inhibitor of carboxypeptidase A with a Ki value in the femtomolar range

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Solution of the conformation and alignment tensors for the binding of trimethoprim and its analogs to dihydrofolate reductase: 3D-quantitative structure-activity relationship study using molecular shape analysis, 3-way partial least-squares regressi

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

A fast flexible docking method using an incremental construction algorithm.

30 May 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

Serotonin Dimers: Application of the Bivalent Ligand Approach to the Design of New Potent and Selective 5-HT1B/1DAgonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

Kinetic and equilibrium characterization of vesamicol receptor-ligand complexes with picomolar dissociation constants.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=17830

Surface topography dependence of biomolecular hydrophobic hydration

28 November 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.18.9997

Comparative affinities of the epimeric reaction-intermediate analogs 2- and 4-carboxy-D-arabinitol 1,5-bisphosphate for spinach ribulose 1,5-bisphosphate carboxylase

21 January 2018

1 reference

12 December 2020

2-Substituted 5-methoxy-N-acyltryptamines: synthesis, binding affinity for the melatonin receptor, and evaluation of the biological activity

1 reference

12 December 2020

Synthesis and evaluation of heterocyclic carboxamides as potential antipsychotic agents

1 reference

12 December 2020

Potent, selective, orally active 3-oxo-1,4-benzodiazepine GPIIb/IIIa integrin antagonists

1 reference

12 December 2020

Development of potent thrombin receptor antagonist peptides

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.96.18.9997

1 reference

ADS bibcode

1999PNAS...96.9997K

0 references

1 reference

1 reference

1 reference