Concepedia

Exploring the anticancer properties of a new nicotinamide analogue: Investigations into in silico analysis, antiproliferative effects, selectivity, VEGFR-2 inhibition, apoptosis induction, and migration suppression

Ibrahim H. Eissa, Reda G. Yousef, M. SAMI, Eslam B. Elkaeed, Bshra A. Alsfouk, Ibrahim M. Ibrahim, Dalal Z. Husein, Hazem Elkady, Ahmed M. Metwaly

Pathology - Research and Practice · 2023 · 10 citations · 61 references

DOI

Concepts

References

61

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

, , +11

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

, , +16

Essential dynamics of proteins

Andrea Amadei, Antonius B. M. Linssen, Herman J. C. Berendsen · Proteins Structure Function and Bioinformatics · 1993 · 3.5K citations

, , +13

Feasibility of drug screening with panels of human tumor cell lines using a microculture tetrazolium assay.

Michael C. Alley, Dominic A. Scudiero, Anne Monks et al. · PubMed · 1988 · 3.1K citations

, , +14

gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS

Mario S. Valdés‐Tresanco, Mario E. Valdés‐Tresanco, Pedro A. Valiente et al. · Journal of Chemical Theory and Computation · 2021 · 3.1K citations

, , +17