title: A study on chirality in biomolecules: the effect of the exchange of L: amino acids to D: ones in Sso7d ribonuclease.
abstract: In this work, the conformational behavior of ribonuclease Sso7d is studied as a function of chirality of its constituting amino acids. Both optimized structures (using molecular mechanics with the CHARMM force field) and dynamic behavior (obtained by molecular dynamic simulations) are compared.
authors.affiliation: Chair for Theoretical Chemistry and Laboratory of the National Foundation for Cancer Research, Friedrich-Alexander-University-Erlangen, Nürnberg, Egerlandstrasse 3, D-91058, Erlangen, Germany. janos.ladik@chemie.uni-erlangen.de
authors.forename: János J
authors.initials: JJ
authors.lastname: Ladik
authors.forename: Zsolt
authors.initials: Z
authors.lastname: Szekeres
mesh_terms: D000596:Amino Acids / Q000737:chemistry* / Q000378:metabolism*; D001665:Binding Sites; D008958:Models, Molecular; D017434:Protein Structure, Tertiary; D012260:Ribonucleases / Q000737:chemistry* / Q000145:classification / Q000378:metabolism*; D013237:Stereoisomerism; D040681:Structural Homology, Protein
chemical_list: D000596:Amino Acids; D012260:Ribonucleases