ATHAR, MOHD
ATHAR, MOHD
DIPARTIMENTO DI FISICA
Computational approaches for modelling multidrug efflux pumps of the resistance nodulation-cell division superfamily
2025-01-01 Athar, M.; Gervasoni, S.; Malloci, G.; Ruggerone, P.; Vargiu, A. V.
Conformational plasticity across phylogenetic clusters of RND multidrug efflux pumps and its impact on substrate specificity
2025-01-01 Lazarova, Mariya; Eicher, Thomas; Börnsen, Clara; Zeng, Hui; Athar, Mohd; Okada, Ui; Yamashita, Eiki; Spannaus, Inga M.; Borgosch, Max; Cha, Hi-jea; Vargiu, Attilio V.; Murakami, Satoshi; Diederichs, Kay; Frangakis, Achilleas S.; Pos, Klaas M.
Enhancing Solubility, Dissolution Rate, and Anticancer Activity of Bioactive Genistein via Host–Guest Inclusion Complexation with p-Sulfocalix[4]arene: Collaborate Experimental Findings with Computational Study
2025-01-01 Chaurasiya, Sunaina; Athar, Mohd; Solanki, Raghu; Pooja, Deep; Jha, Prakash C.; Patel, Sunita; Kulhari, Hitesh
Molecular basis for multidrug efflux by an anaerobic-associated RND transporter
2025-01-01 Lawrence, Ryan; Athar, Mohd; Uddin, Muhammad R.; Adams, Christopher; Sousa, Joana S.; Durrant, Oliver; Lellman, Sophie; Sutton, Lucy; Keevil, C. William; Patel, Nisha; Prosser, Christine E.; Mcmillan, David; Zgurskaya, Helen I.; Vargiu, Attilio V.; Ahdash, Zainab; Reading, Eamonn
Pyrene-based macrocyclic system with tetramethoxy resorcinarene functionalization: applications in liquid crystals and bioimaging study
2025-01-01 Agarwal, Nikhil; Sharma, Vinay S.; Mali, Hitendra; Pathan, Soyeb; Thakar, Shweta; Athar, Mohd; Shrivastav, Pranav S.; Tak, Paras
Toward the Prediction of Binding Events in Very Flexible, Allosteric, Multidomain Proteins
2025-01-01 Basciu, Andrea; Athar, Mohd; Kurt, Han; Neville, Christine; Malloci, Giuliano; Muredda, Fabrizio C.; Bosin, Andrea; Ruggerone, Paolo; Bonvin, Alexandre M. J. J.; Vargiu, Attilio V.
Unlocking the Gates: A Novel Diagnostic Molecule for Quantifying Efflux Levels in Gram‐Positive Bacteria
2025-01-01 Patil, Mrunal; Munteanu, Tatiana; Brasseur, Gaël; Ferreira, Carolina; Costa, Sofia Santos; Couto, Isabel; Athar, Mohd; Asunis, Elisa; Vargiu, Attilio Vittorio; Viveiros, Miguel; Digiorgio, Carole; Brunel, Frédéric; Raimundo, Jean‐manuel; Camplo, Michel; Siri, Olivier; Bolla, Jean‐michel
Thermodynamics and kinetics to develop an analytical method for sensing of aqueous Hg(II) using caffeic acid decorated AgNPs
2023-01-01 Painuli, R.; Raghav, S.; Jha, P. C.; Athar, M.; Kumar, D.
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
2023-01-01 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio
Through-Bond-Driven Through-Space Interactions in a Fullerene C60 Noncovalent Dyad: An Unusual Strong Binding between Spherical and Planar pi Electron Clouds and Culmination of Dyadic Fractals
2022-01-01 Athar, Mohd; Patnaik, Archita
Exploring Ruthenium-Based Organometallic Inhibitors against Plasmodium falciparum Calcium Dependent Kinase 2 (PfCDPK2): A Combined Ensemble Docking, QM/MM and Molecular Dynamics Study
2021-01-01 Patel, D.; Athar, M.; Jha, P. C.
Binding insight of anti-HIV phytocompounds with prime targets of HIV: A molecular dynamics simulation analysis
2020-01-01 Vora, J.; Athar, M.; Sinha, S.; Jha, P. C.; Shrivastava, N.
Colorimetric and electrochemical sensing of As(III) using calix[4]pyrrole capped gold nanoparticles and evaluation of its cytotoxic activity
2020-01-01 Kongor, A.; Panchal, M.; Athar, M.; Vora, M.; Verma, N.; Pandya, A.; Jha, P. C.; Bhadresha, K.; Rawal, R.; Jain, V.
Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2
2020-01-01 Patel, D.; Athar, M.; Jha, P. C.
Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds
2020-01-01 Vora, J.; Patel, S.; Athar, M.; Sinha, S.; Chhabria, M. T.; Jha, P. C.; Shrivastava, N.
Structural motifs of oxacalix[4]arene for molecular recognition of nitroaromatic explosives: Experimental and computational investigations of host-guest complexes
2020-01-01 Panchal, M.; Kongor, A.; Athar, M.; Modi, K.; Patel, C.; Dey, S.; Vora, M.; Bhadresha, K.; Rawal, R.; Jha, P. C.; Jain, V. K.
Understanding non-covalent interactions by NMR in urea- and thiourea-substituted calixarene complexes
2020-01-01 Athar, M.; Behzadi, H.; Makki, S.
Assessing the antimalarial potentials of phytochemicals: Virtual screening, molecular dynamics and in-vitro investigations
2019-01-01 Patel, S. K.; Athar, M.; Jha, P. C.; Khedkar, V. M.; Jasrai, Y.; Pandya, H. A.; George, L. -B.; Highland, H.; Sharma, S.
DFT study of guest-responsive cooperative effects: Inclusion complexation of alcohols with calix[4]pyrrole
2019-01-01 Athar, M.; Jha, P. C.
Facile construction of calix[4]pyrrole-templated gold nanoparticles: computational insights and application for efficient reduction of 4-nitrophenol
2019-01-01 Kongor, A.; Panchal, M.; Athar, M.; Bhatt, K.; Jha, P. C.; Jain, V.