A Simple Way to Generate Molecular Analogues in SAMSON

Designing new molecular analogues to study or optimize properties like binding affinity is a common challenge in molecular modeling. But what if there were a quick and efficient way to explore analogue possibilities directly on your platform without tedious manual…

Effortlessly Select Atoms with Mathematical Precision

For molecular modelers, one common challenge is efficiently manipulating and selecting specific atoms of a structure to explore modifications, analyze behaviors, or prepare systems for simulations. What if there were a way to harness mathematical expressions to precisely select the…

Exploring Structural Group Attributes in Molecular Models

Molecular modeling often involves working with complex systems composed of many structural groups. Understanding and managing these groups is key to achieving accurate modeling results. In SAMSON, structural groups have their own set of attributes that make it easier for…

Simplifying Molecular Modeling with NSL Bond Attributes

As molecular modelers, we frequently tackle the challenge of identifying and manipulating specific bond properties in complex molecular systems. Whether you’re adjusting bond lengths to fit experimental data, analyzing bonding patterns, or defining custom bond types, an efficient way to…