Water in protein structure prediction.

Proceedings of the National Academy of Sciences of the United States of America, 2004

294 citations recorded by the source corpus.

Citations in the corpus

Do we underestimate the importance of water in cell biology? (2006, unknown): “However, it is clear that water needs to be explicitly involved in the more powerful structural prediction methods that realistically follow the biological mechanism of foldin”
Enhancing structure prediction and design of soluble and membrane proteins with explicit solvent-protein interactions (2017, unknown): “…contribute to protein fold stability, participate to enzyme catalysis, signal transduction, and mediate protein-ligand, protein-DNA, and protein-protein recognition (Ahmad et al., 2011; Angel et al., 2009; Breiten et al., 2013; Levy and Onuchic, 2006; Nygaard et al., 2010; Papoian et al., 2004).”
Genomics-aided structure prediction (2012, unknown): “The incomplete and imperfect nature of contact information requires substantial modification of SBM, specifically, the use of statistical potentials to describe the detailed forms of the non-local and local residue-residue interactions (16 – 21).”
Structural coupling between FKBP12 and buried water (2009, unknown): “A modified Hamiltonian with an explicit term to account for protein-water interaction has been shown to improve the accuracy of structure prediction 43.”
Water mediation in protein folding and molecular recognition. (2006, unknown): “Wolynes and coworkers (111) have recently incorporated a knowledge-based potential for watermediated interactions in a Hamiltonian for structure prediction (described below).”