Isodesmic reaction for accurate theoretical pKa calculations of amino acids and peptides.

Sastre, S; Casasnovas, R; Muñoz, F; Frau, J

Sastre, S; Casasnovas, R; Muñoz, F; Frau, J.

Affiliation

Sastre S; Department de Química, Universitat de les Illes Balears, Palma de Mallorca 07122, Spain. juan.frau@uib.es.
Casasnovas R; Institute of Neuroscience and Medicine INM-9, Institute for Advanced Simulations IAS-5. Computational Biomedicine, Forschungszentrum Jülich 52428, Germany.
Muñoz F; Department de Química, Universitat de les Illes Balears, Palma de Mallorca 07122, Spain. juan.frau@uib.es and Instituto de Investigación Sanitaria de Palma (IdISPa), 07010, Palma, Spain.
Frau J; Department de Química, Universitat de les Illes Balears, Palma de Mallorca 07122, Spain. juan.frau@uib.es and Instituto de Investigación Sanitaria de Palma (IdISPa), 07010, Palma, Spain.

Phys Chem Chem Phys ; 18(16): 11202-12, 2016 Apr 28.

Article in En | MEDLINE | ID: mdl-27052591

Subject(s)

Amino Acids/chemistry; Peptides/chemistry; Models, Chemical; Solvents/chemistry; Thermodynamics

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Peptides / Amino Acids Type of study: Prognostic_studies Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2016 Document type: Article Affiliation country: Spain Country of publication: United kingdom

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google