Author

Laleh Khalvati

Texas Tech University

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

Click to filter author papers

Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

Click to filter · or open tag

Organism:E. coli· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1 Approach:simulation· 1 Approach:statistical model· 1

Frequent Co-Authors

Gustavo J. CostaiD· 1 shared Kambham Devendra ReddyiD· 1 shared Mohammad KhavaniiD· 1 shared Pauf NeupaneiD· 1 shared Ruibin LiangiD· 1 shared

Activity by Year

2026-2026 · peak 1/yr

Co-Author Collaboration Network

5 top collaborators · 10 mutual co-author links

Click any collaborator node to inspect or filter shared papers

Focal author (center)Selected co-authorORCID co-authorUnlinked name

Curved chords = mutual co-authorship

1 shared paperPharmacology & Toxicology

Gustavo J. CostaORCID

Mutual co-authors in cluster

Author profile →

1 paper

Recent·Most cited

Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR Inhibitors

Mohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, Gustavo J. Costa, Laleh Khalvati, Ruibin Liang

This study develops and benchmarks a multiscale free-energy method to predict light-responsive binding of ionizable photoswitchable inhibitors to eDHFR, showing that explicit treatment of protonation states is critical for accurate predictions.

Journal of Chemical Information and Modeling · Aug 27, 2026Peer-reviewedPharmacology & Toxicology