Ulf Ryde

Molecular Biology · 2001–2015

A researcher in the Science corpus: 3 papers; trusts 12 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 12 citations into it
• Computational Theory and Mathematics — 6 citations into it
• Atomic and Molecular Physics, and Optics — 5 citations into it

Whom Ulf Ryde trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Holger Gohlke
2. Tingjun Hou
3. Junmei Wang
4. Jessica M.J. Swanson
5. David A. Case
6. Youyong Li
7. Gerhard Klebe
8. Roderick E. Hubbard
9. Peter A. Kollman

Who trusts Ulf Ryde overall

1. Changhao Wang
2. Xing Du

Papers from Ulf Ryde's perspective

Ordered by how strongly the researchers Ulf Ryde trusts endorse each paper. Same corpus, a different order for every researcher.

1. Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf (Journal of Computational Chemistry)
2. Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models
3. Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (Accounts of Chemical Research)
4. Towards predictive ligand design with free-energy based computational methods?
5. Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy. (Biophysical Journal)
6. Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors. (Angewandte Chemie)
7. Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations (Journal of Chemical Information and Modeling)
8. Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method (Molecular Informatics)
9. Fast and accurate predictions of binding free energies using MM‐PBSA and MM‐GBSA (Journal of Computational Chemistry)
10. MMPBSA.py: An Efficient Program for End-State Free Energy Calculations. (Journal of Chemical Theory and Computation)

Their papers

• The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities (2015) — 4,764 citations
• Molcas: a program package for computational chemistry. (2003) — 1,377 citations
• Structure, strain, and reorganization energy of blue copper models in the protein (2001) — 178 citations