Alexey V. Onufriev

Molecular Biology · 2002–2014

A researcher in the Science corpus: 7 papers; trusts 5 researchers and is trusted by 6 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 51 citations into it; #5,455 of 17,773 by trust here, #2,461 by citations
• Materials Chemistry — 29 citations into it
• Atomic and Molecular Physics, and Optics — 23 citations into it; #2,627 of 7,135 by trust here, #2,287 by citations
• Biomedical Engineering — 12 citations into it
• Physical and Theoretical Chemistry — 7 citations into it

Whom Alexey V. Onufriev trusts overall

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

1. David A. Case
2. Ray Luo
3. Donald Bashford
4. Peter A. Kollman
5. Laurent David
6. Michael K. Gilson

Who trusts Alexey V. Onufriev overall

1. Junmei Wang
2. Markus A. Lill
3. David A. Case
4. Gaoqi Weng
5. P. Therese Lang
6. Christoph Bannwarth
7. Matthew L. Danielson
8. Ercheng Wang
9. Michael Feig
10. Donald Bashford

Papers from Alexey V. Onufriev's perspective

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

1. Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (Accounts of Chemical Research)
2. Numerical recipes in C
3. Handbook of Mathematical Functions With Formulas, Graphs and Mathematical Tables (National Bureau of Standards Applied Mathematics Series No. 55)
4. Protein data bank
5. Open Babel: An open chemical toolbox
6. Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation.
7. Electrostatic aspects of protein-protein interactions. (Current Opinion in Structural Biology)
8. Constant pH molecular dynamics in generalized Born implicit solvent (Journal of Computational Chemistry)
9. Hydrogen bonding and biological specificity analysed by protein engineering
10. pH dependence of stability of staphylococcal nuclease: evidence of substantial electrostatic interactions in the denatured state.

Their papers

• Exploring protein native states and large‐scale conformational changes with a modified generalized born model (2004) — 2,370 citations
• The Amber biomolecular simulation programs (2005) — 8,841 citations
• Effective Born radii in the generalized Born approximation: The importance of being perfect (2002) — 434 citations
• Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures (2004) — 553 citations
• Building Water Models: A Different Approach (2014) — 1,230 citations
• H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations (2012) — 1,676 citations
• H++: a server for estimating pKas and adding missing hydrogens to macromolecules (2005) — 1,596 citations