Kevin J. Naidoo

发表

The Glycome Analytics Platform: an integrative framework for glycobioinformatics

Kiyoko F. Aoki-Kinoshita, Christopher B. Barnett, Kevin J. Naidoo, 2016, Bioinform..

Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution

Kevin J. Naidoo, Ramkumar Rajamani, Jiali Gao, 2003, J. Comput. Chem..

Quantum supercharger library: Hyper‐parallelism of the Hartree–Fock method

Kevin J. Naidoo, Kyle D. Fernandes, C. Alicia Renison, 2015, J. Comput. Chem..

Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations

Kevin J. Naidoo, Michelle Kuttel, J. W. Brady, 2002, J. Comput. Chem..

Denoising Autoencoder Self-Organizing Map (DASOM)

Yannis Papanikolaou, Christos Ferles, Kevin J. Naidoo, 2018, Neural Networks.

Water structure about the dimer and hexamer repeat units of amylose from molecular dynamics computer simulations

Kevin J. Naidoo, Michelle Kuttel, 2001, J. Comput. Chem..

Computational Rationale for the Selective Inhibition of the Herpes Simplex Virus Type 1 Uracil-DNA Glycosylase Enzyme

Kevin J. Naidoo, Umraan Hendricks, Werner Crous, 2014, J. Chem. Inf. Model..

Quantum supercharger library: Hyper‐parallel integral derivatives algorithms for ab initio QM/MM dynamics

Kevin J. Naidoo, Kyle D. Fernandes, C. Alicia Renison, 2015, J. Comput. Chem..

Tessellate & Montage: Molecular analytics of cyclic conformations

Christopher B. Barnett, Kevin J. Naidoo, K. Naidoo, 2017 .

Producing DFT/MM enzyme reaction trajectories from SCC‐DFTB/MM driving forces to probe the underlying electronics of a glycosyltransferase reaction

Kevin J. Naidoo, Ian L. Rogers, K. Naidoo, 2017, J. Comput. Chem..

Computing free energy hypersurfaces for anisotropic intermolecular associations

Kevin J. Naidoo, Johan Strümpfer, J. Strümpfer, 2009, J. Comput. Chem..

Calculation of the Ramachandran Potential of Mean Force for a Disaccharide in Aqueous Solution

Kevin J. Naidoo, John W. Brady, J. Brady, 1999 .

Molecular Dynamics and NMR Study of the α(1→4) and α(1→6) Glycosidic Linkages: Maltose and Isomaltose

Kevin J. Naidoo, Robert B. Best, R. Best, 2001 .

Free Energies from Adaptive Reaction Coordinate Forces (FEARCF): an application to ring puckering

Christopher B. Barnett, Kevin J. Naidoo, K. Naidoo, 2009 .