60 research outputs found
Effects of Side-Chain Spacing and Length on Hydration States of Poly(2-methoxyethyl acrylate) Analogues: A Molecular Dynamics Study
Computational Study Reveals the Molecular Mechanism of the Interaction between the Efflux Inhibitor PAN and the AdeB Transporter from Acinetobacter baumannii
Electroluminescent Guest@MOF Nanoparticles for Thin Film Optoelectronics and Solid‐State Lighting
Dual inhibitor design for HIV-1 reverse transcriptase and integrase enzymes: a molecular docking study
Computational approach towards understanding structural and functional role of cytokinin oxidase/dehydrogenase 2 (CKX2) in enhancing grain yield in rice plant
How does the novel T315L mutation of breakpoint cluster region-abelson (BCR-ABL) kinase confer resistance to ponatinib: a comparative molecular dynamics simulation study
Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies
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