Zippier zaps: faster electrostatics calculations
نویسندگان
چکیده
منابع مشابه
Multipole electrostatics in hydration free energy calculations
Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for pharmaceutical and chemical engineering processes. Accurately predicting HFE is also recognized as one fundamental capability of molecular mechanics force field. Here, we present a systematic investigation on HFE calculations with AMOEBA polarizable force field at various parame...
متن کاملFaster likelihood calculations on trees
Calculating the likelihood of observed DNA sequence data at the leaves of a tree is the computational bottleneck for phylogenetic analysis by Bayesian methods or by the method of maximum likelihood. Because analysis of even moderately sized data sets can require hours of computational time on fast desktop computers, algorithmic changes that substantially increase the speed of the basic likeliho...
متن کاملZaps and Their Applications
A zap is a two-round, witness-indistinguishable protocol in which the first round, consisting of a message from the verifier to the prover, can be fixed “once-and-for-all”and applied to any instance, and where the verifier does not use any private coins. We present a zap for every language in NP, based on the existence of non-interactive zero-knowledge proofs in the shared random string model. ...
متن کاملUnderstanding the Results of Electrostatics Calculations: Visualizing Molecular 'Isopotential' Surfaces
• To learn more about actually performing the electrostatics calculation and loading the raw results (e.g., an OpenDX-formatted volumetric map) into, say, a PyMOL session (using PyMOL’s APBS plugin), one can visit http://dx.doi.org/10.1371/journal.pcbi.1000918 and click on “Video S2” – Electrostatics screencast (near the bottom; see ref [4] for more on this). Also, it would be a good idea to vi...
متن کاملOn Faster Integer Calculations Using Non-arithmetic Primitives
The unit cost model is both convenient and largely realistic for describing integer decision algorithms over +,×. Additional operations like division with remainder or bitwise conjunction, although equally supported by computing hardware, may lead to a considerable drop in complexity. We show a variety of concrete problems to benefit from such non-arithmetic primitives by presenting and analyzi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1993
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(93)81029-4