Interdisciplinary Applied Mathematics Ser.: Molecular Modeling and Simulation: an Interdisciplinary Guide : An Interdisciplinary Guide by Tamar Schlick (2010, Hardcover)
Table Of ContentBiomolecular Structure and Modeling: Historical Perspective.- Biomolecular Structure and Modeling: Problem and Application Perspective.- Protein Structure Introduction.- Protein Structure Hierarchy.- Nucleic Acids Structure Minitutorial.- Topics in Nucleic Acids Structure: DNA Interactions and Folding.- Topics in Nucleic Acids Structure: Noncanonical Helices and RNA Structure.- Theoretical and Computational Approaches to Biomolecular Structure.- Force Fields.- Nonbonded Computations.- Multivariate Minimization in Computational Chemistry.- Monte Carlo Techniques.- Molecular Dynamics: Basics.- Molecular Dynamics: Further Topics.- Similarity and Diversity in Chemical Design.
SynopsisVery broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text, As I update parts of this textbook seven years after the original edition, I ?nd the progress in the ?eld to be overwhelming, almost un'tting to justify mainta- ing the same book. In fact, the sports analogy "Bigger, faster, stronger" seems most appropriate to the ?eld of biomolecular modeling. Indeed, as modeling and simulation are used to probe more biological and chemical processes -- with improved force ?elds and algorithms and faster computational platforms -- new discoveriesare beingmade that help interpretaswell as extendexperimentaldata. To experimentalists and theoreticians alike, modeling remains a valuable, albeit challenging, tool for probing numerous conformational, dynamic, and ther- dynamic questions. We can certainly anticipate more exciting developments in biomolecular modeling as the ?rst decade of this new century has ended and - other began. At the same time, we should be reminded by the wisdom of the great French mathematician and scientist Pierre Simon de Laplace, who I quote more than once in this text, who also said: "Ce que nous connaissons est peu de chose; ce quenousignoronsest immense".(What we knowis little; what we do notknow is immense)., This book evolved from an interdisciplinary graduate course entitled 'Molecular Modeling' developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while providing grounding in the discipline. Scientists who wish to enter, or become familiar with, the field of biomolecular modeling and simulation may benefit from the broad coverage of problems and approaches., This goal of this book is to stimulate excitement for molecular modeling research while introducing a wide range of biomolecular problems being solved by computational techniques. It is suitably accessible for beginners and suitably rigorous for experts.