Mutexa: a computational ecosystem for intelligent protein engineering
Protein engineering holds immense promise in shaping the future of biomedicine and
biotechnology. This Review focuses on our ongoing development of Mutexa, a …
biotechnology. This Review focuses on our ongoing development of Mutexa, a …
Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis
Substrate positioning dynamics (SPD) orients the substrate in the active site, thereby
influencing catalytic efficiency. However, it remains unknown whether SPD effects originate …
influencing catalytic efficiency. However, it remains unknown whether SPD effects originate …
Quantum Mechanical Cluster Models for Calculations on Enzymatic Reaction Mechanisms: Set‐Up and Accuracy
SP de Visser, H Wong, Y Zhang… - … –A European Journal, 2024 - Wiley Online Library
Enzymes turnover substrates into products with amazing efficiency and selectivity and as
such have great potential for use in biotechnology and pharmaceutical applications …
such have great potential for use in biotechnology and pharmaceutical applications …
[HTML][HTML] Halide perovskites from first principles: from fundamental optoelectronic properties to the impact of structural and chemical heterogeneity
Organic-inorganic metal-halide perovskite semiconductors have outstanding and widely
tunable optoelectronic properties suited for a broad variety of applications. First-principles …
tunable optoelectronic properties suited for a broad variety of applications. First-principles …
Investigating the Non-Electrostatic Component of Substrate Positioning Dynamics
Substrate positioning dynamics (SPD) orients the substrate to reactive conformations in the
active site, accelerating enzymatic reactions. However, it remains unknown whether SPD …
active site, accelerating enzymatic reactions. However, it remains unknown whether SPD …
SubTuner: a Physics-Guided Computational Tool for Modifying Enzymatic Substrate Preference and Its Application to Anion Methyltransferases
Engineering enzymes to catalyze non-native substrates is critical for chemical synthesis and
drug development. Although general-purpose computational tools exist, a significant …
drug development. Although general-purpose computational tools exist, a significant …