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E. Iype · SciRah

Researcher profile · Semantic Scholar

E. Iype

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E. Iype — researcher profile on SciRah

h-index: 12
Works: 49
Citations: 510

Most-cited papers

Parameterization of a reactive force field using a Monte Carlo algorithm
E. Iype, M. Hütter, A. Jansen, Sv Silvia Nedea +1 more
2013Journal of Computational Chemistry95 citations Open access
Semantic Scholar
DFT Study on Characterization of Hydrogen Bonds in the Hydrates of MgSO4
E. Iype, Sv Silvia Nedea, C. Rindt, A. V. van Steenhoven +2 more
201246 citations
Semantic Scholar
Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study
Xue-Qing Zhang, E. Iype, Sv Silvia Nedea, A. Jansen +3 more
201439 citations
Semantic Scholar
A DFT based equilibrium study on the hydrolysis and the dehydration reactions of MgCl2 hydrates.
B. Smeets, E. Iype, Sv Silvia Nedea, H. Zondag +1 more
2013Journal of Chemical Physics39 citations Open access
Semantic Scholar
Molecular dynamics study on thermal dehydration process of epsomite (MgSO4·7H2O)
Huaicheng Zhang, E. Iype, S. Nedea, C. Rindt
201427 citations Open access
Semantic Scholar
Understanding the asymmetric spread and case fatality rate (CFR) for COVID-19 among countries
E. Iype, Sadhya Gulati
2020medRxiv22 citations Open access
Semantic Scholar
Electrochemical Oxidative Addition of Nucleophiles on 2-Arylindoles: Synthesis of C2-Heteroquaternary Indolin-3-ones.
Y. Nagare, I. Shah, Jyothi Yadav, A. Pawar +4 more
2022Journal of Organic Chemistry21 citations
Semantic Scholar
Sunlight assisted photocatalytic degradation using the RSM-CCD optimized sustainable photocatalyst synthesized from galvanic wastewater
C. Muthukumar, E. Iype, K. Raju, Sampath Pulletikurthi +1 more
2022Journal of Molecular Structure21 citations
Semantic Scholar
Neural network for mechanical property estimation of multilayered laminate composite
A. Barbosa, P. Upadhyaya, E. Iype
202021 citations
Semantic Scholar
Statistical analysis of photodegradation of methylene blue dye under natural sunlight
C. Muthukumar, S. Alam, E. Iype, Prakash B.G
2021Optical materials (Amsterdam)15 citations
Semantic Scholar
Identification of antiviral phytochemicals from cranberry as potential inhibitors of SARS-CoV-2 main protease (Mpro).
U. Pillai, Lucy Cherian, Khushman Taunk, E. Iype +1 more
2024International Journal of Biological Macromolecules12 citations
Semantic Scholar
Modeling rarefied gas-solid surface interactions for Couette flow with different wall temperatures using an unsupervised machine learning technique.
Shahin Mohammad Nejad, E. Iype, S. Nedea, A. Frijns +1 more
2021Physical Review E12 citations Open access
Semantic Scholar
Surface modification of date seeds (Phoenix dactylifera) using potassium hydroxide for wastewater treatment to remove azo dye
Abinaya Arunachalam, Rajib Ghosh Chaudhuri, E. Iype, B. G. Prakash Kumar
2018Water practice and technology12 citations
Semantic Scholar
Visible light active 2D C3N4-CdS hetero-junction photocatalyst for effective removal of azo dye by photodegradation
Rajib Ghosh Chaudhuri, Ashwin Chaturvedi, E. Iype
201812 citations
Semantic Scholar
In silico and in vitro assays reveal potential inhibitors against 3CL pro main protease of SARS-CoV-2
E. Iype, Jisha Pillai U, I. Kumar, S. Gaastra-Nedea +3 more
2021Journal of Biomolecular Structure and Dynamics10 citations Open access
Semantic Scholar
Machine learning model for non-equilibrium structures and energies of simple molecules.
E. Iype, S. Urolagin
2019Journal of Chemical Physics9 citations
Semantic Scholar
Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and N-Aryl Imines with DFT-Calculations.
Panduga Ramaraju, A. Pawar, E. Iype, N. Mir +4 more
2019Journal of Organic Chemistry9 citations
Semantic Scholar
Peptide inhibitors against SARS-CoV-2 2′-O-methyltransferase involved in RNA capping: A computational approach
M. Dutta, E. Iype
2021Biochemistry and Biophysics Reports8 citations Open access
Semantic Scholar
Asymmetric Synthesis of Bridged N-Heterocycles with Tertiary Carbon Center through Barbas Dienamine-Catalysis: Scope and Applications.
Jyothi Yadav, A. Dolas, E. Iype, Krishnan Rangan +3 more
2021Journal of Organic Chemistry8 citations
Semantic Scholar
Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[b,f][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations.
Jyothi Yadav, A. Pawar, Y. Nagare, E. Iype +4 more
2020Journal of Organic Chemistry7 citations
Semantic Scholar
Molecular dynamics simulation of dehydration of salt hydrates (MgSO4·7H2O and ZnSO4·7H2O)
Sadhya Gulati, Zainab Tabassum, Udo Schwingenschlogl, E. Iype
20207 citations Open access
Semantic Scholar
Epsomite dehydration: A molecular dynamics study
E. Iype, Zubin Sayeed Ahmed Khalfay, Rajib Ghosh Chaudhuri, B. G. Prakash Kumar
2018Journal of Energy Storage7 citations
Semantic Scholar
Molecular dynamics simulation of heat transfer through a water layer between two platinum slabs
E. Iype, Ej Erik Arlemark, Sv Silvia Nedea, C. Rindt +1 more
20127 citations Open access
Semantic Scholar
Drug repurposing identifies novel Wee1 kinase inhibitors for triple negative breast cancer therapeutics.
Jisha Pillai U, Prabhjot Singh, M. Maan, Manju Nidagodu Jayakumar +3 more
2025European journal of medicinal chemistry6 citations
Semantic Scholar
Electrochemical Synthesis of 2-Aryl-3-(2-aminoaryl)quinoxalines via Oxidative Dearomatization/Ring-Opening/Cyclization Cascade Sequence of 2-Arylindoles with 1,2-Diaminoarenes.
Y. Nagare, Jyothi Yadav, A. Dolas, I. Shah +4 more
2023Journal of Organic Chemistry5 citations
Semantic Scholar
Recent developments in the catalytic asymmetric synthesis of indolin-3-one derivatives.
A. Dolas, Arun L. Patel, Imtiyaz Ahmad Shah, Jyothi Yadav +2 more
2025Organic and biomolecular chemistry4 citations
Semantic Scholar
Enantioselective Direct Synthesis of C3-Hydroxyalkylated Pyrrole via an Amine-Catalyzed Aldol/Paal-Knorr Reaction Sequence.
A. Pawar, Jyothi Yadav, A. Dolas, Y. Nagare +3 more
2022Organic Letters4 citations
Semantic Scholar
Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.
Sachin Choudhary, Jyothi Yadav, M. Mamta, A. Pawar +6 more
2020Organic and biomolecular chemistry4 citations
Semantic Scholar
In silico characterisation of magnesium salt hydrates as energy storage materials
E. Iype
20143 citations
Semantic Scholar
Development of EEM based silicon-water and silica-water wall potentials for non-reactive molecular dynamics simulations
Junghan Kim, E. Iype, A. Frijns, S. Nedea +1 more
2014Journal of Computational Physics3 citations
Semantic Scholar
Quantum chemical analysis of the structures of MgSO4 hydrates
E. Iype, C. Ozen, Sv Silvia Nedea, C. Rindt +1 more
20123 citations
Semantic Scholar
Organocatalytic [4+2] Benzannulation Between 1,4-Dithiane-Based Enal and Nitroolefins to Access 2-Nitrobiaryls.
I. Kumar, Imtiyaz Ahmad Shah, Y. Nagare, Krishnan Rangan +3 more
2025Chemistry - An Asian Journal2 citations
Semantic Scholar
Organocatalytic Asymmetric Construction of 2,6-Diazabicyclo[2.2.2]octanes by Harnessing the Potential of an 3-Oxindolium Ion Intermediate.
I. Kumar, Jyothi Yadav, Arun L. Patel, A. Dolas +2 more
2024Angewandte Chemie2 citations
Semantic Scholar
Enantioselective Synthesis of Indol‐3‐yl‐piperidines using Amine‐Catalyzed [4+2] Annulation Between Glutaraldehyde and C3‐Indolyl‐imines
Anoop Singh, I. A. Shah, Jyothi Yadav, Preetika Sharma +4 more
2023Annalen der Pharmacie2 citations
Semantic Scholar
Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.
A. Pawar, Jyothi Yadav, N. Mir, E. Iype +4 more
2020Chemical Communications2 citations
Semantic Scholar
Iodine(III)‐Induced Cascade Annulation of β ‐Cyanoporphyrins for the Efficient Synthesis of N ‐Aryliminonaphtho‐Fused and N‐ Aryl‐Carboxamide Porphyrins
Narshimha Verma, S. B. Khandagale, E. Iype, Nitika Grover +1 more
2025Annalen der Pharmacie1 citations Open access
Semantic Scholar
Two‐Pot Synthesis of Indolizinoindole Derivatives via Lewis Acid‐Mediated Intramolecular Regioselective Cyclization of 3‐Acylpyrroles
I. Kumar, Imtiyaz Ahmad Shah, Mainika Verma, Krishnan Rangan +3 more
2025Asian Journal of Organic Chemistry1 citations Open access
Semantic Scholar
Direct Multicomponent Synthesis of C3-Arylated Pyrroles under Catalyst-Free Conditions
A. Pawar, Reena Jangir, A. Dolas, Y. Nagare +3 more
2024Synthesis1 citations
Semantic Scholar
Kinetic Energy Correction Factor for a Converging–Diverging Nozzle
Sadhya Gulati, S. Chowdhury, E. Iype
2022Advances in Computational Modeling and Simulation1 citations
Semantic Scholar
Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles.
A. Pawar, Jyothi Yadav, A. Dolas, E. Iype +2 more
2022Organic and biomolecular chemistry1 citations
Semantic Scholar
Identification of Potential Inhibitors Against SARS-CoV-2 3CLpro, PLpro, and RdRP Proteins: An In-Silico Approach
M. Jayakumar, Jisha Pillai U., Moksha Mehta, Karanveer Singh +2 more
2022Advances in Computational Modeling and Simulation1 citations
Semantic Scholar
Thermochemical energy storage : from in-silico characterization to full-scale experimentation
E. Iype, Huai-Chen H. Zhang, A. Pathak, S. Lan +3 more
20181 citations
Semantic Scholar
Recent developments in the organocatalytic asymmetric cycloaddition/annulation reactions involving indolylmethanols
Arun L. Patel, Harshit, E. Iype, I. Kumar
2026RSC Advances0 citations
Semantic Scholar
Recent developments in asymmetric synthesis of cyclohepta[b]indole derivatives.
Reena Jangir, Jyothi Yadav, E. Iype, S. Rana +1 more
2026Organic and biomolecular chemistry0 citations
Semantic Scholar
Enantioselective synthesis of α-(3-pyrrolyl)methanamines with an aza-tetrasubstituted center under metal-free conditions.
A. Dolas, Jyothi Yadav, Y. Nagare, Krishnan Rangan +2 more
2024Organic and biomolecular chemistry0 citations
Semantic Scholar
Two-pot sequential multicomponent metal-free synthesis of pyrrolo[2,3-d]pyridazin-7-ones and pyrrolo[2,3-d]pyrizidines
M. Mamta, N. Mir, Jyothi Yadav, A. Pawar +6 more
2023New Journal of Chemistry0 citations
Semantic Scholar
PIFA-promoted intramolecular oxidative cyclization of pyrrolo- and indolo[1,2-a]quinoxalino-appended porphyrins: an efficient synthesis of meso,β-pyrrolo- and indolo[1,2-a]quinoxalino-fused porphyrins.
B. Kumar, S. B. Khandagale, Narshimha Verma, Taur Prakash Pandurang +2 more
2022Organic and biomolecular chemistry0 citations
Semantic Scholar
Two-pot synthesis and photophysical studies of 1,6-disubstituted 5-aza-indoles from succinaldehyde and N-aryl propargylic-imines.
Satheeshvarma Vanaparthi, M. Mamta, Jyothi Yadav, A. Pawar +3 more
2021Organic and biomolecular chemistry0 citations
Semantic Scholar
A Study on Distance Based Representation of Molecules for Statistical Learning
Abdul Wasee, Rajib Ghosh Chaudhuri, Prakash Kumar, E. Iype
20200 citations
Semantic Scholar

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