Ion mobility derived collision cross sections to support metabolomics applications G Paglia, JP Williams, L Menikarachchi, JW Thompson, ... Analytical chemistry 86 (8), 3985-3993, 2014 | 334 | 2014 |
Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification G Paglia, P Angel, JP Williams, K Richardson, HJ Olivos, JW Thompson, ... Analytical chemistry 87 (2), 1137-1144, 2015 | 291 | 2015 |
QM/MM approaches in medicinal chemistry research LC Menikarachchi, JA Gascón Current Topics in Medicinal Chemistry 10 (1), 46-54, 2010 | 102 | 2010 |
MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures LC Menikarachchi, S Cawley, DW Hill, LM Hall, L Hall, S Lai, J Wilder, ... Analytical chemistry 84 (21), 9388-9394, 2012 | 78 | 2012 |
In silico enzymatic synthesis of a 400 000 compound biochemical database for nontargeted metabolomics LC Menikarachchi, DW Hill, MA Hamdalla, II Mandoiu, DF Grant Journal of chemical information and modeling 53 (9), 2483-2492, 2013 | 42 | 2013 |
Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data LM Hall, DW Hill, LC Menikarachchi, MH Chen, LH Hall, DF Grant Bioanalysis 7 (8), 939-955, 2015 | 29 | 2015 |
Locostatin disrupts association of Raf kinase inhibitor protein with binding proteins by modifying a conserved histidine residue in the ligand-binding pocket AB Beshir, CE Argueta, LC Menikarachchi, JA Gascón, G Fenteany Onco Therapeutics 2 (1), 2011 | 26 | 2011 |
Chemical structure identification in metabolomics: computational modeling of experimental features LC Menikarachchi, MA Hamdalla, DW Hill, DF Grant Computational and structural biotechnology journal 5 (6), e201302005, 2013 | 17 | 2013 |
Optimization of cutting schemes for the evaluation of molecular electrostatic potentials in proteins via Moving-Domain QM/MM LC Menikarachchi, JA Gascón Journal of molecular modeling 14, 1-9, 2008 | 14 | 2008 |
Development of database assisted structure identification (dasi) methods for nontargeted metabolomics LC Menikarachchi, R Dubey, DW Hill, DN Brush, DF Grant Metabolites 6 (2), 17, 2016 | 5 | 2016 |
An extrapolation method for computing protein solvation energies based on density fragmentation of a graphical surface tessellation LC Menikarachchi, JA Gascón Journal of Molecular Graphics and Modelling 30, 38-45, 2011 | 2 | 2011 |
Text Mining Analysis of Metoclopramide Reviews: Adverse Effects, Patients’ Perspectives and Off-label Use L Menikarachchi, M Jayantha Sri Lankan Journal of Health Sciences 1 (2), 2022 | | 2022 |
ChemID – A RESTful API for Chemical Structure Identification in Metabolomics LC Menikarachchi, TGRLMR Rathnayake 18th IEEE International Conference in Computational Intelligence in …, 2021 | | 2021 |
Mechanistic study of the reaction between locostatin and Raf kinase inhibitor protein (RKIP) AN Rudnitskaya, LC Menikarachchi, G Fenteany, JA Gascon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
Implicit solvation in QM/MM, a density domain fragmentation approach LC Menikarachchi, JA Gascon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 239, 2010 | | 2010 |
PHYS 447-Moving Domain QM/MM method for accurate description of molecular electrostatic potentials in proteins LC Menikarachchi, JA Gascon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007 | | 2007 |
Ion Mobility-derived Collision Cross-Sections of Common Metabolites to Support Metabolomics Applications G Paglia, JP Williams, L Menikarachchi, JW Thompson, ... | | |