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First came Molnupiravir – now there is Paxlovid as a SARS-CoV-2 protease inhibitor. An NCI analysis of the ligand.

Saturday, November 13th, 2021

Non-covalent-interaction (NCI) surfaces for two large annulenes (revisited).

Sunday, February 7th, 2021

A Non-nitrogen Containing Morpholine Isostere; an application of FAIR data principles.

Sunday, August 4th, 2019

How many water molecules does it take to ionise HCN/HNC? An NCI exploration.

Monday, March 2nd, 2015

A convincing example of the need for data repositories. FAIR Data.

Thursday, January 15th, 2015

The Amsterdam Manifesto on Data Citation Principles

Wednesday, July 31st, 2013

NCI (non-covalent-interaction) analysis for some π-hydrogen bonded systems.

Tuesday, January 8th, 2013

Non-covalent interactions (NCI): revisiting Pirkle

Thursday, July 15th, 2010

The Fine-tuned principle in chemistry

Sunday, November 29th, 2009

Full circle with carbon hypervalencies

Friday, October 2nd, 2009