List of works - Kevin A Lobb

AMADAR: a python-based package for large scale prediction of Diels–Alder transition state geometries and IRC path analysis

scientific article published on 15 June 2022

Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

scientific article published on 15 October 2015

Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s

scientific article published on 08 November 2019

Exploring DOXP-reductoisomerase binding limits using phosphonated N-aryl and N-heteroarylcarboxamides as DXR inhibitors.

scientific article published on 7 May 2013

Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies

scientific article published on 9 January 2018

High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV

scientific article published on 01 November 2018

Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).

scientific article published on 23 April 2018

Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

scientific article published on 24 October 2017

Iron(iii)porphyrin electrocatalyzed enantioselective carbon-chloride bond cleavage of hexachlorocyclohexanes (HCHs): combined experimental investigation and theoretical calculations

scientific article published on 01 August 2018

Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase

scientific article published on 5 January 2018

SANCDB: a South African natural compound database

scientific article (publication date: 2015)

Seed Extract of and Its Constituent Bakuchiol Impairs AHL-Based Quorum Sensing and Biofilm Formation in Food- and Human-Related Pathogens

scientific article published on 25 October 2018

Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs

scientific article

Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors.

scientific article published on 2 December 2010

Synthetic analogues of the marine bisindole deoxytopsentin: potent selective inhibitors of MRSA pyruvate kinase.

scientific article published on 5 November 2014

The Baylis-Hillman approach to quinoline derivatives

scientific article published on 25 September 2006

The formation of 2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine from 1,2-diaminobenzene in the presence of acetone.

scientific article published on 19 November 2013

Transformations of manool. tri- and tetracyclic norditerpenoids with in vitro activity against Plasmodium falciparum.

scientific article published on 11 July 2007

Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced denaturation.