On the Compatibility Criteria for Protein Encapsulation inside Mesoporous Materials

Scalable molecular dynamics with NAMD on the IBM Blue Gene/L system

(2010) S. Kumar et al.   IBM JOURNAL OF RESEARCH AND DEVELOPMENT

Direct observation by X-ray analysis of the tetrahedral “intermediate” of aspartic proteinases

(2010) B. Veerapandian et al.   PROTEIN SCIENCE

A comment on the flexibility of framework in molecular dynamics simulations of zeolites

(2009) Pierfranco Demontis et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM-41 Mesoporous Material Simulated by Large-scale Periodic B3LYP Calculations

(2008) P. Ugliengo et al.   ADVANCED MATERIALS

Proteins in Mesoporous Silicates

(2008) Sarah Hudson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Improved pKaprediction: Combining empirical and semimicroscopic methods

(2008) Gernot Kieseritzky et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Active Biocatalysts Based on Pepsin Immobilized in Mesoporous SBA-15

(2008) Haresh G. Manyar et al.   Journal of Physical Chemistry C

Influence of silanols condensation on surface properties of micelle-templated silicas: A modelling study

(2008) Ettore Fois et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS