Multi-Site λ-dynamics for simulated Structure-Activity Relationship studies (Q35572848)

8 August 2017

title

Multi-Site λ-dynamics for simulated Structure-Activity Relationship studies (English)

1 reference

8 August 2017

Jennifer L Knight

1

1 reference

8 August 2017

Charles L Brooks

series ordinal

2

1 reference

8 August 2017

publication date

1 September 2011

1 reference

Journal of Chemical Theory and Computation

8 August 2017

published in

1 reference

8 August 2017

volume

7

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8 August 2017

issue

9

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8 August 2017

page(s)

2728-2739

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Applying efficient implicit nongeometric constraints in alchemical free energy simulations

8 August 2017

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26 September 2018

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26 September 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/22125476

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22125476

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22125476

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT200444F

1 reference

8 August 2017

1 reference

8 August 2017

1 reference