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Journal of Chemical Theory and Computation|April 24, 2020
Markov State Model Analysis of Haloperidol Binding to the D3 Dopamine ReceptorTrayder Thomas, Elizabeth Yuriev, David K ChalmersDrug Discovery Today. Technologies|August 15, 2018
The influence and manipulation of acid/base properties in drug discoveryDavid T Manallack, Elizabeth Yuriev, David K ChalmersJournal of Chemical Information and Modeling|December 22, 2025
Contact Parallel Cascade Selection Molecular Dynamics (cPaCS-MD) for Accurate In Silico Prediction of Peptide Binding Free EnergyViktor Prypoten, Raymond S Norton, David K ChalmersAntiviral Therapy|May 12, 2004
Comparisons of the HBV and HIV polymerase, and antiviral resistance mutationsAngeline Bartholomeusz, Benjamin G Tehan, David K ChalmersJournal of Computer-Aided Molecular Design|September 27, 2005
A three-dimensional model of the human immunodeficiency virus type 1 integration complexJerome Wielens, Ian T Crosby, David K ChalmersJournal of Chemical Information and Modeling|December 23, 2015
Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D2 and D3 ReceptorsTrayder Thomas, Yu Fang, Elizabeth Yuriev, et al.Journal of Medicinal Chemistry|July 27, 2017
Free Energy Methods in Drug Design: Prospects of "Alchemical Perturbation" in Medicinal ChemistryBilly J Williams-Noonan, Elizabeth Yuriev, David K ChalmersMolecular Pharmaceutics|March 6, 2009
Structure and dynamics of glyceride lipid formulations, with propylene glycol and waterDallas B Warren, David K Chalmers, Colin W PoutonOrganic & Biomolecular Chemistry|March 14, 2013
(+)-Fluorenylethylchloroformate (FLEC)--improved synthesis for application in chiral analysis and peptidomimetic synthesisMichelle A Camerino, David K Chalmers, Philip E ThompsonJournal of Chemical Theory and Computation|October 2, 2024
Graph Neural Network-Based Molecular Property Prediction with Patch AggregationTeng Jiek See, Daokun Zhang, Mario Boley, et al.Pageof 9