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Works citing this work

16 works

Work: Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

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  2. Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification

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    ArticleReceptor Mechanisms and SignalingBiomedicine & Pharmacotherapy20233 citations
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  3. An orientational graphene/bamboo evaporator for efficient solar-powered steam generation and desalination

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  4. Understanding Osaka mutation polymorphic Aβ fibril response to static and oscillating electric fields: insights from computational modeling

    Mukhriddin Makhkamov, Artyom Y. Baev, Erkin Kurganov +1

    ArticleAlzheimer's disease research and treatmentsScientific Reports20242 citations
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  5. Effect of Cysteine Oxidation in SARS-CoV-2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from Atomistic Simulations

    Maryam Ghasemitarei, Angela Privat‐Maldonado, Maksudbek Yusupov +3

    ArticleSARS-CoV-2 and COVID-19 ResearchJournal of Chemical Information and Modeling20212 citations
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  6. Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

    Shavkat Mamatkulov, Klaus F. Rinne, Richard Buchner +2

    ArticleSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20181 citations
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  7. Exploring α-synuclein stability under the external electrostatic field: Effect of repeat unit

    Javokhir Khursandov, Rasulbek Mashalov, Mukhriddin Makhkamov +3

    ArticleParkinson's Disease Mechanisms and TreatmentsJournal of Structural Biology20241 citations
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  8. The Absorption Mechanisms of CO2, H2S and CH4 Molecules in [EMIM][SCN] and [EMIM][DCA] Ionic Liquids: A Computational Insight

    Akbar Kodirov, Davronjon Abduvokhidov, Shavkat Mamatkulov +2

    ArticleIonic liquids properties and applicationsFluid Phase Equilibria20241 citations
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  9. Investigation of Structural Mechanisms Underlying p53 Dysfunction Caused by 148 Missense Mutations Using AlphaFold3 and Molecular Dynamics Simulations

    Khondamir R Rustamov, Jamoliddin Razzokov, Artyom Y. Baev

    ArticleCancer-related Molecular PathwaysJournal of Chemical Information and Modeling20251 citations
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  10. Prediction of the structure of a silk-like protein in oligomeric states using explicit and implicit solvent models

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    ArticleProtein Structure and DynamicsSoft Matter20141 citations
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  11. Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1

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    ArticleCell death mechanisms and regulationInternational Journal of Biological Macromolecules20201 citations
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  12. Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability

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    ArticleIonic liquids properties and applicationsJournal of Molecular Liquids20220 citations
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  13. Unveiling the Borohydride Ion through Force-Field Development

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    ArticleHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 citations
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  14. New quinoxaline-oxadiazole hybrids as tubulin inhibitors: Synthesis, cytotoxicity, and molecular dynamics simulations

    Bangar Reddy Vancha, Mandapalli Sreeshitha, Kamala Prasad Vasikarla +6

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  15. Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

    S. Mehdi Vaez Allaei, Mehriar Amininasab, Hrachya Ishkhanyan +1

    ArticleEnzyme Structure and FunctionScientific Reports20250 citations
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  16. The effect of cysteine oxidation on conformational changes of SARS-CoV-2 spike protein using atomistic simulations

    Maryam Ghasemitarei, Hoda Taeb, Tayebeh Ghorbi +3

    ArticleSARS-CoV-2 and COVID-19 ResearchScientific Reports20250 citations
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