Salomon R. Billeter

The GROMOS Biomolecular Simulation Program Package

Walter R. P. Scott, Philippe H. Hünenberger, Ilario G. Tironi et al. · The Journal of Physical Chemistry A · 1999 · 1.5K citations

Biophysical Modeling, Fortran77 Code, Engineering +13

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest et al. · Journal of Molecular Structure THEOCHEM · 2003 · 1K citations

Chemical Engineering, Engineering, Industrial Catalysis +12

Network of coupled promoting motions in enzyme catalysis

Pratul K. Agarwal, Salomon R. Billeter, P. T. Ravi Rajagopalan et al. · Proceedings of the National Academy of Sciences · 2002 · 459 citations · Full text

Hydride Transfer, Protein Fold, Aldo-keto Reductase +10

Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

Salomon R. Billeter, Alexander J. Turner, Walter Thiel · Physical Chemistry Chemical Physics · 2000 · 456 citations

Engineering, Linear Scaling, Computer-aided Design +25

Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis

Salomon R. Billeter, Alessandro Curioni, Wanda Andreoni · Computational Materials Science · 2003 · 218 citations

Engineering, Transition-state Search, Physics +11