Srinivasa Reddy Munnangi

@dsgdcw.ac.in

Associate Professor, Chemistry
D S Government Degree College for Women

RESEARCH, TEACHING, or OTHER INTERESTS

Chemistry, Physical and Theoretical Chemistry, Artificial Intelligence
34

Scopus Publications

454

Scholar Citations

12

Scholar h-index

17

Scholar i10-index

Scopus Publications

RECENT SCHOLAR PUBLICATIONS

  • AI-assisted, theory-guided electrolyte screening using DFT frontier descriptors and the Rational Discovery Toolkit cheminformatics
    ASM Munnangi, V Munnangi, SM Nayeem, S Shaik, SMR Arhan, ...
    Next Materials 12, 102210 , 2026
    2026
  • Exploring molecular interactions through thermophysical properties and molecular dynamics simulations in [Emim][NTf2] and 2-EE mixtures
    NB Etukuri, SR Aangothu, S Prathipati, SR Munnangi, BMK Khandapu, ...
    The Journal of Chemical Thermodynamics 210, 107536 , 2025
    2025
  • Integrating experimental data, molecular dynamics, and machine learning for physicochemical insights into γ-butyrolactone and isopropyl acetate binary system
    ASM Munnangi, SM Nayeem, S Prathipati, SR Munnangi
    Journal of Molecular Liquids 434, 127983 , 2025
    2025
  • Experimental and molecular dynamics study of molecular interactions in γ-butyrolactone–dimethyl formamide systems with machine learning based density predictions
    ASM Munnangi, SM Nayeem, P Koppolu, SR Munnangi
    The Journal of Chemical Thermodynamics, 107545 , 2025
    2025
    Citations: 1
  • Characterising molecular interactions of [Emim][triflate] with 2-methoxyethanol and 1-methyl-2-pyrrolidone: a refractive index and IR spectral study
    SR Aangothu, S Prathipati, VBR Krishnan, SR Ghanta, SR Munnangi
    Physics and Chemistry of Liquids 63 (4), 520-535 , 2025
    2025
  • Experimental Measurements, Molecular Dynamics Simulations, and Machine Learning Predictions for the γ‐Butyrolactone– N,N ‐Dimethylacetamide Binary System
    ASM Munnangi, HK Reddy Koppolu, SM Nayeem, I Polineni, ...
    ChemistrySelect 10 (28), e02391 , 2025
    2025
    Citations: 1
  • Molecular Interactions and IR Spectral Insights in [Emim][Triflate] and 2-Alkoxyethanol Mixtures: Refractive Index Predictions Using Classical Theories and Machine Learning
    ASM Munnangi, SR Aangothu, V Krishnan, LT Ravulapalli, ...
    Journal of Chemical & Engineering Data 70 (2), 864-877 , 2025
    2025
    Citations: 5
  • Fusion of Experimental and Machine Learning: Predicting Refractive Index and Molecular Interactions in (Bmim. Triflate) with 1-Butanol and 1-Pentanol Mixtures
    HKR Koppolu
    Jordan Journal of Chemistry , 2025
    2025
  • Thermodynamic insights into moxifloxacin hydrochloride interactions within aqueous solutions: integrating thermophysical measurements and molecular dynamics simulations at …
    Y Rayinuthala, MD Raju, SR Munnangi, SM Nayeem, I Polineni
    Chemical Papers 78 (12), 6945-6959 , 2024
    2024
  • Exploring the molecular interactions of dorzolamide hydrochloride in aqueous solutions: a comprehensive study using thermophysical techniques and molecular simulations across …
    Y Rayinuthala, DR Medepalli, SR Munnangi, SM Nayeem, LT Ravulapalli
    Canadian Journal of Chemistry 102 (9), 568-580 , 2024
    2024
  • The study of intermolecular interactions in [Bmim][PF6]+ 1-octyl-2-pyrrolidone binary mixtures from volumetric, acoustic, optical and spectroscopic measurements
    S Prathipati, VS Rao, SR Munnangi, RS Gopisetti, MM Alam, HB Bollikolla
    The Journal of Chemical Thermodynamics 179, 106952 , 2023
    2023
    Citations: 2
  • Investigations on molecular interactions of memantine hydrochloride in aqueous solutions by thermophysical methods and molecular dynamics simulations at different temperatures
    Y Rayinuthala, D Raju, MS Reddy, NS Md, RAS Md
    Journal of the Indian Chemical Society 100 (4), 100967 , 2023
    2023
    Citations: 4
  • Target SARS-CoV-2: theoretical exploration on clinical suitability of certain drugs
    S Md Nayeem, EM Sohail, NV Srihari, P Indira, M Srinivasa Reddy
    Journal of Biomolecular Structure and Dynamics 40 (19), 8905-8912 , 2022
    2022
    Citations: 6
  • Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field
    SM Nayeem, EM Sohail, G Ridhima, MS Reddy
    Research on Biomedical Engineering 38 (1), 117-126 , 2022
    2022
    Citations: 37
  • Target SARS-CoV-2: Machine Learning for the Prediction of Drug Suitability
    M Nayeem, E Mohammed Sohail, D Sampurna Rao, M Srinivasa Reddy
    E. and Sampurna Rao, D. and Srinivasa Reddy, M., Target SARS-CoV-2: Machine … , 2021
    2021
  • A molecular interactions study between 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and N-methylpyrrolidone
    S Prathipati, SR Vipparla, SR Munnangi, MN Sk, HB Bollikolla
    The Journal of Chemical Thermodynamics 154, 106330 , 2021
    2021
    Citations: 10
  • Computational and theoretical exploration for clinical suitability of Remdesivir drug to SARS-CoV-2
    SM Nayeem, EM Sohail, GP Sudhir, MS Reddy
    European Journal of Pharmacology 890, 173642 , 2021
    2021
    Citations: 11
  • Volumetric, Ultrasonic, Spectroscopic, and Molecular Dynamics Simulations Studies of Molecular Interactions in Binary Mixtures of [Emim][NTf 2 ] with 2 …
    S Prathipati, SR Aangothu, SR Munnangi, BM Krishna Khandapu, ...
    Journal of Chemical & Engineering Data 65 (7), 3566-3578 , 2020
    2020
    Citations: 14
  • Thermo physical, optical and spectroscopic perspectives of molecular interactions in binary mixtures of Ethyl Lactate and Dimethyl Adipate at T= 303.15–318.15 K and atmospheric …
    S Vani Latha, G Little Flower, M Srinivasa Reddy, L Yugandhar Raju, ...
    Physics and Chemistry of Liquids 57 (6), 816-839 , 2019
    2019
    Citations: 1
  • An experimental investigation of molecular interactions between [Emim][triflate] ionic liquid & 2-alkoxyethanols and theoretical comparison by PFP theory
    SR Aangothu, SR Munnangi, HB Bollikolla
    The Journal of Chemical Thermodynamics 138, 43-50 , 2019
    2019
    Citations: 11

MOST CITED SCHOLAR PUBLICATIONS

  • The study of solute–solvent interactions in 1-ethyl-3-methylimidazolium tetrafluoroborate+ 2-ethoxyethanol from density, speed of sound, and refractive index measurements
    M Srinivasa Reddy, SM Nayeem, K Raju, B Hari Babu
    Journal of Thermal Analysis and Calorimetry 124 (2), 959-971 , 2016
    2016
    Citations: 56
  • The study of solute–solvent interactions in 1-ethyl-3-methylimidazolium ethylsulfate+ 2-ethoxyethanol from density, speed of sound and refractive index measurements
    S Reddy, MN Sk
    Journal of Molecular Liquids 218, 83-94 , 2016
    2016
    Citations: 41
  • The study of molecular interactions in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate+ 1-pentanol from density, speed of sound and refractive index measurements
    MS Reddy, I Khan, KTSS Raju, P Suresh, BH Babu
    The Journal of Chemical Thermodynamics 98, 298-308 , 2016
    2016
    Citations: 40
  • Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field
    SM Nayeem, EM Sohail, G Ridhima, MS Reddy
    Research on Biomedical Engineering 38 (1), 117-126 , 2022
    2022
    Citations: 37
  • Excess Thermodynamic Properties for Binary Mixtures of Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate and 2-Methoxyethanol from T = (298.15 to 328.15 …
    MS Reddy, KTSS Raju, SM Nayeem, I Khan, KBM Krishana, BH Babu
    Journal of Solution Chemistry 45 (5), 675-701 , 2016
    2016
    Citations: 36
  • Study of molecular interactions in binary liquid mixtures of [Emim][BF4] with 2-methoxyethanol using thermo acoustic, volumetric and optical properties
    MS Reddy, SM Nayeem, C Soumini, KTSS Raju, BH Babu
    Thermochimica Acta 630, 37-49 , 2016
    2016
    Citations: 30
  • Study of thermophysical properties of the binary mixtures of ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate and 2-propoxyethanol from T=(298.15 to 328.15) K at …
    MS Reddy, KTSS Raju, AS Rao, N Sharmila, BH Babu
    The Journal of Chemical Thermodynamics 101, 139-149 , 2016
    2016
    Citations: 26
  • Thermoacoustic, volumetric, and viscometric investigations in the binary mixtures of 1,4-dioxane with n -hexane or n -heptane or n -octane
    SM Nayeem, M Kondaiah, K Sreekanth, M Srinivasa Reddy, ...
    Journal of Thermal Analysis and Calorimetry 123 (3), 2241-2255 , 2016
    2016
    Citations: 22
  • Molecular interaction studies in the binary mixture of 1-ethyl-3-methylimidazolium trifluoromethanesulphonate+ 1-butanol from density, speed of sound and refractive index …
    M Srinivasa Reddy, KTSS Raju, S Md Nayeem, K Bala Murali Krishna, ...
    Physics and Chemistry of Liquids 55 (6), 775-795 , 2017
    2017
    Citations: 16
  • Volumetric, Ultrasonic, Spectroscopic, and Molecular Dynamics Simulations Studies of Molecular Interactions in Binary Mixtures of [Emim][NTf 2 ] with 2 …
    S Prathipati, SR Aangothu, SR Munnangi, BM Krishna Khandapu, ...
    Journal of Chemical & Engineering Data 65 (7), 3566-3578 , 2020
    2020
    Citations: 14
  • Investigation of intermolecular interactions in binary liquid mixtures of [Bmim][NTf2] and propylene carbonate at different temperatures using ultrasonic, optical and FT-IR studies
    VS Rao, MS Reddy, KTSS Raju, BH Babu
    Karbala International Journal of Modern Science 3 (4), 279-286 , 2017
    2017
    Citations: 13
  • Volumetric, acoustic, optical and spectroscopic studies of binary mixtures of the ionic liquid, 1-butyl-3-methyl imidazolium bis (trifluoromethylsulfonyl) imide and diethyl …
    V Srinivasa Rao, M Srinivasa Reddy, A Srinivasa Rao, G Pushpa Raju, ...
    Physics and Chemistry of Liquids 56 (3), 332-352 , 2018
    2018
    Citations: 12
  • Computational and theoretical exploration for clinical suitability of Remdesivir drug to SARS-CoV-2
    SM Nayeem, EM Sohail, GP Sudhir, MS Reddy
    European Journal of Pharmacology 890, 173642 , 2021
    2021
    Citations: 11
  • An experimental investigation of molecular interactions between [Emim][triflate] ionic liquid & 2-alkoxyethanols and theoretical comparison by PFP theory
    SR Aangothu, SR Munnangi, HB Bollikolla
    The Journal of Chemical Thermodynamics 138, 43-50 , 2019
    2019
    Citations: 11
  • A molecular interactions study between 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and N-methylpyrrolidone
    S Prathipati, SR Vipparla, SR Munnangi, MN Sk, HB Bollikolla
    The Journal of Chemical Thermodynamics 154, 106330 , 2021
    2021
    Citations: 10
  • Thermophysical investigations and prediction of calorimetric potentials in binary mixture of 1-butyl-3-methylimidazolium trifluoromethanesulfonate with 1-pentanol
    M SrinivasaReddy, G Srinivasa Rao, SK Md Nayeem, K Raju, ...
    Journal of Thermal Analysis and Calorimetry 132 (1), 725-739 , 2018
    2018
    Citations: 10
  • Elucidation of molecular interactions between ionic liquid [Emim][triflate] with 2-methoxyethanol & N-methylpyrrolidone: experimental and COSMO-RS studies
    SR Aangothu, I Khan, SR Munnangi, HB Bollikolla
    Journal of Molecular Liquids 251, 286-295 , 2018
    2018
    Citations: 10
  • The study of solute–solvent interactions in 1-butyl-3-methylimidazolium hexafluorophosphate+ 2-pyrrolidone from volumetric, acoustic, optical and spectral properties
    V Srinivasa Rao, M Srinivasa Reddy, KTSS Raju, BL Rani, B Hari Babu
    Journal of Solution Chemistry 47 (3), 430-448 , 2018
    2018
    Citations: 9
  • Molecular interaction studies of binary mixture formed by 2-methoxyethanol and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide-based ionic liquid
    RKTSSHB Sreenivasa Rao A., Srinivasa Reddy M., Pushpa Raj G., Sreenivasa Rao M.
    Physics and Chemistry of Liquids 57 (4), 547-564 , 2018
    2018
    Citations: 8
  • Volumetric, acoustic and spectroscopic approaches to understand the molecular interactions between 1-butyl-3-methylimidazolium hexafluorophosphate and N-vinyl-2-pyrrolidinone
    DR Suneetha, P., T. S. Krishna, M. Gowrisankar, M. Srinivasa Reddy
    Journal of Thermal Analysis and Calorimetry 134 (2), 1151-1167 , 2018
    2018
    Citations: 8