Recent publications · Crossref
5 total works indexed
- Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
· 2003 · cited 579x
- Methods for optimizing large molecules. II. Quadratic search
· 1999 · cited 161x
- Methods for optimizing large molecules. Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)
· 2002 · cited 120x
- Effects of the Protein Environment on the Structure and Energetics of Active Sites of Metalloenzymes. ONIOM Study of Methane Monooxygenase and Ribonucleotide Reductase
· 2001 · cited 113x
- Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces
· 1998 · cited 63x
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