Baswanth Oruganti

8PUBLICATIONS
9CO-AUTHORS
Optical properties of materialsBiomolecular modelling and designFree radical chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Autonomous vehicle systems
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Publications (8)

|Feb 12, 2025
Azole-Based Diarylethenes Containing Benzoheteroarene π-Linkers for Solar Thermal Energy Storage: Influence of Aromaticity and Noncovalent Interactions.

Thillaiarasi Sukumar, Mahesh Kumar Ravva, Baswanth Oruganti

|Mar 30, 2023
Molecular dynamics and absolute binding free energy studies of piperine derivatives as potential inhibitors of SARS-CoV-2 main protease.

Karteek Rao Amperayani, Govinda Varadhi, Baswanth Oruganti

|Aug 23, 2022
Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the π-Linker.

Baswanth Oruganti, Jun Wang, Bo Durbeej

|Jul 18, 2022
Photoswitching of Local (Anti)Aromaticity in Biphenylene-Based Diarylethene Molecular Switches.

Péter Pál Kalapos, Péter J Mayer, Tamás Gazdag

|Oct 14, 2021
Activation of Abl1 Kinase Explored Using Well-Tempered Metadynamics Simulations on an Essential Dynamics Sampled Path.

Baswanth Oruganti, Ran Friedman

|Mar 30, 2021
Computational Comparison of Chemical and Isotopic Approaches to Control the Photoisomerization Dynamics of Light-Driven Molecular Motors.

Jun Wang, Baswanth Oruganti, Bo Durbeej

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Frequent Collaborators

5 joint publications

Bo Durbeej

3 joint publications

Jun Wang

2 joint publications

Gábor London

1 joint publications

Varada Bhargav