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Molecular Diversity|June 13, 2024
Synthesis, molecular docking and molecular dynamics simulations, drug-likeness studies, ADMET prediction and biological evaluation of novel pyrazole-carboxamides bearing sulfonamide moiety as potent carbonic anhydrase inhibitorsİrfan Yetek, Samet Mert, Ekrem Tunca, et al.
Molecular Diversity|May 18, 2024
Design, synthesis and bioactivity evaluation of novel monomethyl auristatin F analoguesLisheng Yang, Xinglin Li, Lei Zhao, et al.
Molecular Diversity|May 22, 2024
An in silico approach for identification of lead compound as FtsZ inhibitorSumaiya Kifayat, Haider Thaer Abdulhameed Almuqdadi, Ravindra Pal Singh, et al.
Molecular Diversity|October 26, 2023
Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studiesRizal Irfandi, Indah Raya, Ahyar Ahmad, et al.
Molecular Diversity|July 19, 2023
Structure-based pharmacophore modeling and DFT studies of Indian Ocean-derived red algal compounds as PI3Kα inhibitorsArchana Vasuki, H Jemmy Christy, K Renugadevi, et al.
Molecular Diversity|July 18, 2023
Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulationsYassir Boulaamane, Kailash Jangid, Mohammed Reda Britel, et al.
Molecular Diversity|July 12, 2023
You must be flexible enough to be trained, Mr. Dynamics simulatorAmmar Usman Danazumi, Haruna Isiyaku Umar
Molecular Diversity|July 3, 2023
TNFipred: a classification model to predict TNF-α inhibitorsNiharika K Prabha, Anju Sharma, Hardeep Sandhu, et al.
Molecular Diversity|June 20, 2023
Molecular docking and simulation studies of some pyrazolone-based bioactive ligands targeting the NF- B signaling pathwaysSurya Philip, D R Sherin, T K Manoj Kumar, et al.
Molecular Diversity|June 8, 2023
Structure-based drug design-guided identification of estrogen receptor bindersRojalini Samanta, Kishanta Kumar Pradhan, Debanjan Sen, et al.
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