In silico design of dehydrophenylalanine containing peptide activators of glucokinase using pharmacophore modelling, molecular dynamics and machine learning: implications in type 2 diabetes. - Yadav, Siddharth; Rana, Swati; Manish, Manish; Singh, Sohini; Lynn, Andrew M.; Mathur, Puniti (J. Comput. Aided Mol. Des., 2025)

Intersection of network medicine and machine learning towards investigating the key biomarkers and pathways underlying amyotrophic lateral sclerosis: a systematic review. - Das, Trishala; Kaur, Harbinder; Gour, Pratibha; Prasad, Kartikay; Lynn, Andrew M.; Prakash, Amresh; Kumar, Vijay (Briefings Bioinform., 2022)

Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach. - Mishra, Chandra Bhushan; Pandey, Preeti; Sharma, Ravi Datta; Malik, Md. Zubbair; Mongre, Raj Kumar; Lynn, Andrew M.; Prasad, Rajendra; Jeon, Raok; Prakash, Amresh (Briefings Bioinform., 2021)

Implementation of homology based and non-homology based computational methods for the identification and annotation of orphan enzymes: using Mycobacterium tuberculosis H37Rv as a case study. - Sinha, Swati; Lynn, Andrew M.; Desai, Dhwani K. (BMC Bioinform., 2020)

Cytochrome P450 2C9 polymorphism: Effect of amino acid substitutions on protein flexibility in the presence of tamoxifen. - Manish, Manish; Lynn, Andrew M.; Mishra, Smriti (Comput. Biol. Chem., 2020)

GCAC: galaxy workflow system for predictive model building for virtual screening. - Bharti, Deepak R.; Hemrom, Anmol; Lynn, Andrew M. (BMC Bioinform., 2019)

MetaNET - a web-accessible interactive platform for biological metabolic network analysis. - Narang, Pankaj; Khan, Shawez; Hemrom, Anmol; Lynn, Andrew M. (BMC Syst. Biol., 2014)

g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations. - Kumari, Rashmi; Kumar, Rajendra; Lynn, Andrew M. (J. Chem. Inf. Model., 2014)

ModEnzA: Accurate Identification of Metabolic Enzymes Using Function Specific Profile HMMs with Optimised Discrimination Threshold and Modified Emission Probabilities. - Desai, Dhwani K.; Nandi, Soumyadeep; Srivastava, Prashant K.; Lynn, Andrew M. (Adv. Bioinformatics, 2011)

Rational Mutational Analysis of a Multidrug MFS Transporter CaMdr1p of Candida albicans by Employing a Membrane Environment Based Computational Approach. - Kapoor, Khyati; Rehan, Mohd; Kaushiki, Ajeeta; Pasrija, Ritu; Lynn, Andrew M.; Prasad, Rajendra (PLoS Comput. Biol., 2009)

HMM-ModE - Improved classification using profile hidden Markov models by optimising the discrimination threshold and modifying emission probabilities with negative training sequences. - Srivastava, Prashant K.; Desai, Dhwani K.; Nandi, Soumyadeep; Lynn, Andrew M. (BMC Bioinform., 2007)