(Q30982674)

28 June 2017

title

Computational modelling of inhibitor binding to human thrombin (English)

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28 June 2017

Ljungberg KB

1

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28 June 2017

Marelius J

2

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28 June 2017

Musil D

3

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28 June 2017

Svensson P

4

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28 June 2017

Norden B

5

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28 June 2017

Aqvist J

6

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28 June 2017

language of work or name

English

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publication date

1 February 2001

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European Journal of Pharmaceutical Sciences

28 June 2017

published in

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28 June 2017

volume

12

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28 June 2017

issue

4

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28 June 2017

page(s)

441-446

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An overview of hemostasis

28 June 2017

cites work

1 reference

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7 January 2021

An approximate but efficient method to calculate free energy trends by computer simulation: application to dihydrofolate reductase-inhibitor complexes.

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7 January 2021

Estimation of binding free energies for HIV proteinase inhibitors by molecular dynamics simulations.

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7 January 2021

Ligand binding affinity prediction by linear interaction energy methods

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

Estimation of the binding affinities of FKBP12 inhibitors using a linear response method

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7 January 2021

Computation of affinity and selectivity: binding of 2,4-diaminopteridine and 2,4-diaminoquinazoline inhibitors to dihydrofolate reductases

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7 January 2021

Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems.

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7 January 2021

Evolution of Proteolytic Enzymes

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

The application of three approximate free energy calculations methods to structure based ligand design: trypsin and its complex with inhibitors

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

Cold adaption of enzymes: structural comparison between salmon and bovine trypsins

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

Scoring functions: a view from the bench

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

A new method for predicting binding affinity in computer-aided drug design

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https://api.crossref.org/works/10.1016%2FS0928-0987%2800%2900185-8

7 January 2021

10.1016/S0928-0987(00)00185-8

Identifiers

DOI

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28 June 2017

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