Fuzzy molecular surfaces. Export

@article{citeulike:5806635, abstract = {Surface area of a macromolecule, accessible to a solvent, is defined and calculated, taking into account the probabilistic character of atomic positions due to the high frequency atomic vibrations. For a given a space point, we consider a probability of the event, that this point is covered by a macromolecule. A volume is defined as a space integral of this probability field. The envelope, accessible to a solvent molecule center, becomes fuzzy, existing only in a probabilistic sense. The accessible area is defined as a derivative of the envelope volume with respect to the probe size.}, author = {Agishtein, M. E.}, citeulike-article-id = {5806635}, citeulike-linkout-0 = {http://view.ncbi.nlm.nih.gov/pubmed/1616629}, citeulike-linkout-1 = {http://www.hubmed.org/display.cgi?uids=1616629}, issn = {0739-1102}, journal = {Journal of biomolecular structure \& dynamics}, keywords = {accessible, solvent, surface}, month = {February}, number = {4}, pages = {759--768}, posted-at = {2009-09-20 13:14:06}, priority = {2}, title = {Fuzzy molecular surfaces.}, url = {http://view.ncbi.nlm.nih.gov/pubmed/1616629}, volume = {9}, year = {1992} }

TY - JOUR ID - citeulike:5806635 L3 - citeulike-article-id:5806635 N2 - Surface area of a macromolecule, accessible to a solvent, is defined and calculated, taking into account the probabilistic character of atomic positions due to the high frequency atomic vibrations. For a given a space point, we consider a probability of the event, that this point is covered by a macromolecule. A volume is defined as a space integral of this probability field. The envelope, accessible to a solvent molecule center, becomes fuzzy, existing only in a probabilistic sense. The accessible area is defined as a derivative of the envelope volume with respect to the probe size. IS - 4 JF - Journal of biomolecular structure & dynamics SN - 0739-1102 EP - 768 TI - Fuzzy molecular surfaces. VL - 9 SP - 759 KW - accessible KW - solvent KW - surface AU - Agishtein, ME PY - 1992/02// UR - http://view.ncbi.nlm.nih.gov/pubmed/1616629 ER -