The capacity to design molecules capable of orchestrated movements in response to
specific stimuli could yield functional biomaterials suitable for diverse innovative materials …

Understanding the process of protein unfolding plays a crucial role in various applications
such as design of folding-based protein engines. Using the well-established kinetostatic …

Predicting the final folded structure of protein molecules and simulating their folding
pathways is of crucial importance for designing viral drugs and studying diseases such as …

The kinetostatic compliance method (KCM) models protein molecules as nanomechanisms
consisting of numerous rigid peptide plane linkages. These linkages articulate with respect …

The fusion of kinematics, a field centered on motion and geometry, with molecular biology
has opened new avenues in disease diagnosis and treatment, drug development …

This paper proposes a sign gradient descent (SGD) algorithm for predicting the three-
dimensional folded protein molecule structures under the kinetostatic compliance method …

Nanomachines and nanorobots are nanoscale mechanisms that transform an input motion
or force into some desirable output. These machines offer significant applications in …

The synthesis of functional molecular linkages is constrained by difficulties in fabricating
nanolinks of arbitrary shapes and sizes. Thus, classical mechanism synthesis methods …

Natural nanomechanisms such as capillaries, neurotransmitters, and ion channels play a
vital role in the living systems. But the design principles developed by nature through …

Rational drug design is the process of finding new medication that can activate or inhibit the
biofunction of a target molecule by binding to it and forming a molecular complex. Here …