2026 4
Combining cutting edge computational and experimental methods for targeting KRAS mutations in non-small cell lung cancer
Samudrala, R., Bruggemann, L., Falls, Z., Mahajan, S.D.
Expert Opinion on Drug Discovery. 2026.
DOI
Multiscale analysis and optimal glioma therapeutic candidate discovery using the CANDO platform
Xu, S., Hu, Y., Mangione, W., Van Norden, M., Elefteriou, K., Falls, Z., Samudrala, R.
Journal of Cheminformatics. 2026.
DOI
Deciphering bisphenol A (BPA)-elicited osteoarthritis mechanisms through network toxicology and molecular docking, then de novo generation of novel therapeutic candidates
Xu, S., Jiang, L., Zhang, Z., Luo, X., Wu, W., Wu, H., Huang, Z., Falls, Z., Samudrala, R., Tan, Z.
BMC Pharmacology & Toxicology, 27(1): 20. 2026.
DOI
Uncovering novel therapeutics for schizophrenia: a multitarget approach using the CANDO platform
Hu, Y., Elefteriou, K., Falls, Z., Samudrala, R.
bioRxiv [Preprint]. 2026.
DOI
2025 3
Strategies for robust, accurate, and generalizable benchmarking of drug discovery platforms
Van Norden, M., Mangione, W., Falls, Z., Samudrala, R.
Bioinformatics, 41(11). 2025.
DOI
Predictors of the Rapid vs Longer Term Development of Opioid Use Disorder or Overdose among Clients Treated for an Alcohol Use Problem
Falls, Z., Zhang, X., Jacobs, D.M., et al.
Journal of Studies on Alcohol and Drugs. April 2025.
DOI
Differences in prescribing patterns of opioid dependence drugs among patients with primary alcohol use problems and opioid use disorders within New York State by social determinant factors, 2005–2018
Lu, C.H., Su, H.Y., Falls, Z., et al.
Journal of the American Pharmacists Association, 102258. 2025.
DOI
2024 5
High-risk use of prescription opioids among patients treated for alcohol problems in New York State. A repeated cross-sectional study, 2005–2018
Kuo, T.Y., Lu, C.H., Falls, Z., et al.
Drug and Alcohol Dependence Reports, 12: 100278. 2024.
DOI
The Effect of Antidepressants on Withdrawal in Patients with Alcohol Dependence: A Retrospective Study
Tomlin, C., Piracha, M.U., Stephens, R., Falls, Z., et al.
Studies in Health Technology and Informatics, 316: 284–285. 2024.
The implications of APOBEC3-mediated C-to-U RNA editing for human disease
Van Norden, M., Falls, Z., Mandloi, S., et al.
Communications Biology, 7(1): 529. 2024.
DOI
Building Chemical Intuition about Physicochemical Properties of C8-Per-/Polyfluoroalkyl Carboxylic Acids through Computational Means
Antle, J.P., LaRock, M.A., Falls, Z., et al.
ACS ES&T Engineering, 4(1): 196–208. 2024.
DOI
Incidence, Timing and Social Correlates of the Development of Opioid Use Disorder Among Clients Seeking Treatment for an Alcohol Use Problem: Changes Over the Three Waves of the Opioid Epidemic
Falls, Z., Zhang, X., Elkin, P.L., et al.
Substance Abuse and Rehabilitation, 15: 185–195. 2024.
DOI
2023 5
A cohort of patients in New York State with an alcohol use disorder and subsequent treatment information — A merging of two administrative data sources
Lu, C.H., Jette, G., Falls, Z., et al.
Journal of Biomedical Informatics, 144: 104443. 2023.
DOI
The Role of C-to-U RNA Editing in Human Biodiversity
Van Norden, M., Falls, Z., Mandloi, S., et al.
bioRxiv [Preprint]. 2023.
DOI
Effective holistic characterization of small molecule effects using heterogeneous biological networks
Mangione, W., Falls, Z., Samudrala, R.
Frontiers in Pharmacology, 14: 1113007. 2023.
DOI
Multiscale Analysis and Validation of Effective Drug Combinations Targeting Driver KRAS Mutations in Non-Small Cell Lung Cancer
Bruggemann, L., Falls, Z., Mangione, W., et al.
International Journal of Molecular Sciences, 24(2). 2023.
DOI
Antiviral Approaches against Influenza Virus
Kumari, R., Sharma, S.D., Kumar, A., Falls, Z., et al.
Clinical Microbiology Reviews, e0004022. 2023.
DOI
2022 5
Trends in Prescribing Opioids, Benzodiazepines, and Both Among Adults with Alcohol Use Disorder in New York State
Jacobs, D.M., Tober, R., Yu, C., Falls, Z., et al.
Journal of General Internal Medicine. June 2022.
DOI
Proteomic Network Analysis of Bronchoalveolar Lavage Fluid in Ex-Smokers to Discover Implicated Protein Targets and Novel Drug Treatments for Chronic Obstructive Pulmonary Disease
Mammen, M.J., Tu, C., Morris, M.C., Falls, Z., et al.
Pharmaceuticals, 15(5). 2022.
DOI
Identifying Protein Features and Pathways Responsible for Toxicity Using Machine Learning and Tox21: Implications for Predictive Toxicology
Moukheiber, L., Mangione, W., Moukheiber, M., Falls, Z., et al.
Molecules, 27(9). 2022.
DOI
Optimal COVID-19 therapeutic candidate discovery using the CANDO platform
Mangione, W., Falls, Z., Samudrala, R.
Frontiers in Pharmacology, 13: 970494. 2022.
DOI
Evaluating the performance of drug-repurposing technologies
Schuler, J., Falls, Z., Mangione, W., et al.
Drug Discovery Today, 27(1): 49–64. 2022.
DOI
2021 5
A Deep-Learning Proteomic-Scale Approach for Drug Design
Overhoff, B., Falls, Z., Mangione, W., Samudrala, R.
Pharmaceuticals, 14(12). 2021.
DOI
A fluorescence-based, gain-of-signal, live cell system to evaluate SARS-CoV-2 main protease inhibition
Dey-Rao, R., Smith, G.R., Timilsina, U., Falls, Z., et al.
Antiviral Research, 195: 105183. 2021.
DOI
A synthetic small molecule stalls pre-mRNA splicing by promoting an early-stage U2AF2-RNA complex
Chatrikhi, R., Feeney, C.F., Pulvino, M.J., Falls, Z., et al.
Cell Chemical Biology, 28(8): 1145–1157.e6. 2021.
DOI
Protein mimetic amyloid inhibitor potently abrogates cancer-associated mutant p53 aggregation and restores tumor suppressor function
Palanikumar, L., Karpauskaite, L., Al-Sayegh, M., Falls, Z., et al.
Nature Communications, 12(1): 3962. 2021.
DOI
Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCK
Falls, Z., Fine, J., Chopra, G., Samudrala, R.
Frontiers in Chemistry, 9: 775513. 2021.
DOI
2020 4
The XtalOpt evolutionary algorithm for crystal structure prediction
Falls, Z., Avery, P., Wang, X., et al.
The Journal of Physical Chemistry C, 125(3): 1601–1620. 2020.
DOI
cando.py: Open Source Software for Predictive Bioanalytics of Large Scale Drug-Protein-Disease Data
Mangione, W., Falls, Z., Chopra, G., Samudrala, R.
Journal of Chemical Information and Modeling, 60(9): 4131–4136. 2020.
DOI
Shotgun drug repurposing biotechnology to tackle epidemics and pandemics
Mangione, W., Falls, Z., Melendy, T., et al.
Drug Discovery Today, 25(7): 1126–1128. 2020.
DOI
Association of C>U RNA Editing with Human Disease Variants
Mandloi, S., Falls, Z., Deng, R., et al.
Studies in Health Technology and Informatics, 270: 1205–1206. 2020.
DOI
2019 1
Exploration of interaction scoring criteria in the CANDO platform
Falls, Z., Mangione, W., Schuler, J., Samudrala, R.
BMC Research Notes, 12(1): 318. 2019.
DOI
2016 3
Computational prediction and analysis of the 27Al solid-state NMR spectrum of methylaluminoxane (MAO) at variable temperatures and field strengths
Falls, Z., Zurek, E., Autschbach, J.
Physical Chemistry Chemical Physics, 18(34): 24106–24118. 2016.
DOI
Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting?
Shamp, A., Terpstra, T., Bi, T., Falls, Z., et al.
Journal of the American Chemical Society, 138(6): 1884–1892. 2016.
DOI
XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction
Falls, Z., Lonie, D.C., Avery, P., et al.
Computer Physics Communications, 199: 178–179. 2016.
DOI
2014 1
The Dynamic Equilibrium Between (AlOMe)n Cages and (AlOMe)n·(AlMe3)m Nanotubes in Methylaluminoxane (MAO): A First-Principles Investigation
Falls, Z., Tyminska, N., Zurek, E.
Macromolecules, 47(24): 8556–8569. 2014.
DOI
2013 1
Determination of the structures of molecularly imprinted polymers and xerogels using an automated stochastic approach
Wach, A., Chen, J., Falls, Z., et al.
Analytical Chemistry, 85(18): 8577–8584. 2013.
DOI