Concepedia

Suman Sirimulla

SS

20

Publications

1.2K

Citations

17

H-Index

2010

Active since

Affiliations

The University of Texas at El Paso(Current)

Northern Arizona University

University of Health Sciences and Pharmacy

University of Louisville

University of Copenhagen

Suman Sirimulla is an author at The University of Texas at El Paso specializing in medicine, drug discovery, and pharmacology.

Top concepts

MedicineDrug DiscoveryPharmacologyEngineeringBiochemistryMolecular DockingMolecular BiologyMolecular ModelingOncologyVirology

Publications per year

2010–2023

20

Publications

20

Halogen Interactions in Protein–Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design

Suman Sirimulla, Jake Bailey, Rahulsimham Vegesna et al. · Journal of Chemical Information and Modeling · 2013 · 234 citations

Halogen Interactions, Halogen Bonding, Halogenation +14

DrugCentral 2021 supports drug discovery and repositioning

Sorin Avram, Cristian Bologa, Jayme Holmes et al. · Nucleic Acids Research · 2020 · 200 citations · Full text

Preclinical Therapeutics, Interesting Drugs, Pharmacotherapy +19

AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

Mathew Koebel, Grant Schmadeke, Richard G. Posner et al. · Journal of Cheminformatics · 2016 · 145 citations · Full text

S···O and S···N Sulfur Bonding Interactions in Protein–Ligand Complexes: Empirical Considerations and Scoring Function

Mathew Koebel, Aaron Cooper, Grant Schmadeke et al. · Journal of Chemical Information and Modeling · 2016 · 71 citations

Engineering, Molecular Biology, Organic Chemistry +17

A machine learning platform to estimate anti-SARS-CoV-2 activities

Govinda KC, Giovanni Bocci, Srijan Verma et al. · Nature Machine Intelligence · 2021 · 71 citations · Full text

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