TY  - GEN 
AU  - Fleitas Albrizzi, Luis Fernando
AU  - Gayoso Domínguez, Osmar Gabriel
AU  - Colbes Sanabria, José Domingo
AU  - Di Lella, Santiago
AU  - Schaerer Serra, Christian Emilio
AU  - Cabarcas Álvarez Cruz, Amaury
PY  - 2026
SN  - 1089-5639
UR  - http://hdl.handle.net/20.500.14066/4799
AB  - Analyzing the conformational dynamics of short peptides from molecular dynamics (MD) simulations remains challenging. The high dimensionality of torsional space and the periodic nature of dihedral angles complicate statistical analysis and...
LA  - eng
PB  - ACS Publications
KW  - 13. Avance general del conocimiento: I+D financiada con fuentes distintas a los FGU
KW  - 13.1. I+D relativa a las Ciencias Naturales
KW  - Chemical structure
KW  - Computational chemistry
KW  - Mathematical methods
KW  - Molecular dynamics
KW  - Peptides and proteins
TI  - Analyzing peptide torsional dynamics : an angular-displacement PCA pipeline for short-horizon prediction from molecular dynamics
DO  - 10.1021/acs.jpca.5c07760
VL  - 130
ER  -