Leela S. Dodda

Nimbus (Italy) — Italy

Biochemistry, Genetics and Molecular Biology · Life Sciences

6h-index2.6kcitations10works0.02yr avg
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Research Topics

Protein Structure and Dynamics(4), Spectroscopy and Quantum Chemical Studies(4), Advanced Physical and Chemical Molecular Interactions(4), Advanced Chemical Physics Studies(3), Various Chemistry Research Topics(3)

Publications10 total

Knowledge and Structure-Based Drug Design of 15-PGDH Inhibitors
Journal of Medicinal Chemistry·2025
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
2019· 2 citedOpen Access
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
Journal of Chemical Information and Modeling·2019· 99 citedOpen Access
Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase
The Journal of Physical Chemistry B·2018· 27 cited
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
2018· 1 citedOpen Access
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
2018· 3 citedOpen Access
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Nucleic Acids Research·2017· 1.6k citedOpen Access
1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations
The Journal of Physical Chemistry B·2017· 767 citedOpen Access
Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling
Journal of Chemical Theory and Computation·2015· 75 citedOpen Access
Modeling the formaldehyde–graphene interaction using a formaldehyde–pyrene system
Physical Chemistry Chemical Physics·2013· 6 cited

Frequent Co-authors

William L. Jorgensen(4), Daniel J. Cole(4), Julian Tirado‐Rives(3), Joshua Horton(3), Alice Allen(3), Jonah Z. Vilseck(2), Israel Cabeza de Vaca(1), Joshua T. Horton(1), Alice E. A. Allen(1), Kara J. Cutrona(1), Upakarasamy Lourderaj(1), Sébastien Campos(1), David Ciccone(1), Samantha Carreiro(1), Silvana Leit(1), Debra Brennan(1), Jacqueto Zephyr(1), Suzanne Jacques-O’Hagan(1), Sheetal Kumar(1), Fu‐Shan Kuo(1)