(Q44325912)

2 December 2017

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP. (English)

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2 December 2017

2

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2 December 2017

4

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2 December 2017

Yogendra Patel

1

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PubMed ID

12602956

2 December 2017

Gianpaolo Bravi

series ordinal

3

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2 December 2017

1 August 2002

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Journal of Computer - Aided Molecular Design

2 December 2017

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2 December 2017

16

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2 December 2017

8-9

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2 December 2017

653-681

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https://scigraph.springernature.com/pub.10.1023/a:1021954728347

2 December 2017

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cites work

Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding

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12 December 2020

Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance

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12 December 2020

Identification of common functional configurations among molecules

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12 December 2020

Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents

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12 December 2020

Redetermination and refinement of the complex of benzylsuccinic acid with thermolysin and its relation to the complex with carboxypeptidase A

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12 December 2020

Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate

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12 December 2020

High resolution structures of HIV-1 RT from four RT-inhibitor complexes

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12 December 2020

Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors

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12 December 2020

X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin

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12 December 2020

Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors

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12 December 2020

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

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12 December 2020

Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor

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12 December 2020

New approach to pharmacophore mapping and QSAR analysis using inductive logic programming. Application to thermolysin inhibitors and glycogen phosphorylase B inhibitors.

1 reference

12 December 2020

Structure of a nonadecapeptide of the fifth EGF domain of thrombomodulin complexed with thrombin

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12 December 2020

Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2

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12 December 2020

Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523

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12 December 2020

Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives

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12 December 2020

Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors

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12 December 2020

Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex

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12 December 2020

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

1 reference

12 December 2020

Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles

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12 December 2020

Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor

1 reference

12 December 2020

Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase

1 reference

12 December 2020

Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors

1 reference

12 December 2020

Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes

1 reference

12 December 2020

Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases

1 reference

12 December 2020

3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes

1 reference

12 December 2020

Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template

1 reference

12 December 2020

Design of potent selective zinc-mediated serine protease inhibitors

1 reference

12 December 2020

Crystal structure of human dihydrofolate reductase complexed with folate

1 reference

12 December 2020

Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses

1 reference

12 December 2020

Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis

1 reference

12 December 2020

Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant

1 reference

12 December 2020

Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution

1 reference

12 December 2020

Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase

1 reference

12 December 2020

Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1021954728347

1 reference

journals/jcamd/PatelGBL02

2 December 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

PubMed ID

12602956