Research Articles
Solving SCF Convergence in Quantum Chemistry: Practical Strategies for Diffuse Basis Sets in Drug Discovery
This article addresses the pervasive challenge of Self-Consistent Field (SCF) convergence failures when employing diffuse basis sets in quantum chemical calculations, a critical issue for researchers and drug development professionals...
Resolving SCF Convergence Failures: A Practical Guide to Linear Dependence in Quantum Chemistry for Drug Discovery
This article provides a comprehensive guide for computational chemists and drug development researchers facing Self-Consistent Field (SCF) convergence failures due to linear dependence in basis sets.
Overcoming SCF Convergence Challenges in Transition Metal Complexes: A Computational Chemistry Guide for Drug Development
This comprehensive guide addresses the persistent challenge of Self-Consistent Field (SCF) convergence failures in quantum chemical calculations of transition metal complexes, a critical hurdle in computational drug discovery and materials...
Overcoming SCF Convergence Challenges in Open-Shell Transition Metal Slabs: A Computational Guide for Catalyst and Drug Discovery
This article provides a comprehensive analysis of the Self-Consistent Field (SCF) convergence challenges specific to open-shell transition metal slab calculations, crucial for modeling surfaces in catalysis and biomaterial interfaces.
Cell Cycle Dynamics: Validating Surface Area-to-Volume Ratio as a Key Biophysical Regulator
This article provides a comprehensive guide for researchers, scientists, and drug development professionals on the critical validation of surface area-to-volume (SA/V) ratio across cell cycle stages.
Unlocking Cellular Efficiency: How Surface Area to Volume Ratio Drives Nutrient Uptake and Growth
This article provides a comprehensive analysis of the fundamental relationship between a cell's surface area to volume (SA/V) ratio and its capacity for nutrient uptake, metabolic rate, and overall growth...
Cell Surface Dynamics: The Critical Role of Surface Area-to-Volume Ratio in Proliferating vs. Quiescent Cells for Drug Development
This article provides a comprehensive analysis of the Surface Area-to-Volume (SA:V) ratio as a fundamental biophysical parameter distinguishing proliferating and quiescent cell states.
The Critical Role of Surface Area-to-Volume Ratio in Cell Fate: From Quiescence to Proliferation in Research and Therapeutics
This article provides a comprehensive analysis of the fundamental biophysical principle of surface area-to-volume (SA/V) ratio and its pivotal role in distinguishing the metabolic and functional states of quiescent versus...
Surface Area to Volume Ratio: A Critical Biophysical Shift in Plasmodium-Infected Red Blood Cells
This article examines the significant biophysical alterations in Plasmodium-infected red blood cells (RBCs), focusing on the critical changes to their surface area to volume (SA/V) ratio.
The SA:V Paradox in Mammalian Cells: Does the Surface-to-Volume Ratio Decrease or Remain Constant?
This article examines the critical debate in cell biology regarding the scaling relationship between cell surface area (SA) and volume (V) in mammalian cells.