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# Line 1456 | Line 1456 | Encoding: GBK
1456    uri = {<Go to ISI>://000225042700059},
1457   }
1458  
1459 + @ARTICLE{Humphrey1996,
1460 +  author = {W. Humphrey and A. Dalke and K. Schulten},
1461 +  title = {VMD: Visual molecular dynamics},
1462 +  journal = {Journal of Molecular Graphics},
1463 +  year = {1996},
1464 +  volume = {14},
1465 +  pages = {33-\&},
1466 +  number = {1},
1467 +  month = {Feb},
1468 +  abstract = {VMD is a molecular graphics program designed for the display and analysis
1469 +        of molecular assemblies, in particular biopolymers such as proteins
1470 +        and nucleic acids. VMD can simultaneously display any number of
1471 +        structures using a wide variety of rendering styles and coloring
1472 +        methods. Molecules are displayed as one or more ''representations,''
1473 +        in which each representation embodies a particular rendering method
1474 +        and coloring scheme for a selected subset of atoms. The atoms displayed
1475 +        in each representation are chosen using an extensive atom selection
1476 +        syntax, which includes Boolean operators and regular expressions.
1477 +        VMD provides a complete graphical user interface for program control,
1478 +        as well as a text interface using the Tcl embeddable parser to allow
1479 +        for complex scripts with variable substitution, control loops, and
1480 +        function calls. Full session logging is supported, which produces
1481 +        a VMD command script for later playback. High-resolution raster
1482 +        images of displayed molecules may be produced by generating input
1483 +        scripts for use by a number of photorealistic image-rendering applications.
1484 +        VMD has also been expressly designed with the ability to animate
1485 +        molecular dynamics (MD) simulation trajectories, imported either
1486 +        from files or from a direct connection to a running MD simulation.
1487 +        VMD is the visualization component of MDScope, a set of tools for
1488 +        interactive problem solving in structural biology, which also includes
1489 +        the parallel MD program NAMD, and the MDCOMM software used to connect
1490 +        the visualization and simulation programs. VMD is written in C++,
1491 +        using an object-oriented design; the program, including source code
1492 +        and extensive documentation, is freely available via anonymous ftp
1493 +        and through the World Wide Web.},
1494 +  annote = {Uh515 Times Cited:1418 Cited References Count:19},
1495 +  issn = {0263-7855},
1496 +  uri = {<Go to ISI>://A1996UH51500005},
1497 + }
1498 +
1499   @ARTICLE{Izaguirre2001,
1500    author = {J. A. Izaguirre and D. P. Catarello and J. M. Wozniak and R. D. Skeel},
1501    title = {Langevin stabilization of molecular dynamics},
# Line 1876 | Line 1916 | Encoding: GBK
1916    annote = {154RH Times Cited:88 Cited References Count:36},
1917    issn = {0010-3616},
1918    uri = {<Go to ISI>://000077902200006},
1919 + }
1920 +
1921 + @ARTICLE{Matthey2004,
1922 +  author = {T. Matthey and T. Cickovski and S. Hampton and A. Ko and Q. Ma and
1923 +        M. Nyerges and T. Raeder and T. Slabach and J. A. Izaguirre},
1924 +  title = {ProtoMol, an object-oriented framework for prototyping novel algorithms
1925 +        for molecular dynamics},
1926 +  journal = {Acm Transactions on Mathematical Software},
1927 +  year = {2004},
1928 +  volume = {30},
1929 +  pages = {237-265},
1930 +  number = {3},
1931 +  month = {Sep},
1932 +  abstract = {PROTOMOL is a high-performance framework in C++ for rapid prototyping
1933 +        of novel algorithms for molecular dynamics and related applications.
1934 +        Its flexibility is achieved primarily through the use of inheritance
1935 +        and design patterns (object-oriented programming): Performance is
1936 +        obtained by using templates that enable generation of efficient
1937 +        code for sections critical to performance (generic programming).
1938 +        The framework encapsulates important optimizations that can be used
1939 +        by developers, such as parallelism in the force computation. Its
1940 +        design is based on domain analysis of numerical integrators for
1941 +        molecular dynamics (MD) and of fast solvers for the force computation,
1942 +        particularly due to electrostatic interactions. Several new and
1943 +        efficient algorithms are implemented in PROTOMOL. Finally, it is
1944 +        shown that PROTOMOL'S sequential performance is excellent when compared
1945 +        to a leading MD program, and that it scales well for moderate number
1946 +        of processors. Binaries and source codes for Windows, Linux, Solaris,
1947 +        IRIX, HP-UX, and AIX platforms are available under open source license
1948 +        at http://protomol.sourceforge.net.},
1949 +  annote = {860EP Times Cited:2 Cited References Count:52},
1950 +  issn = {0098-3500},
1951 +  uri = {<Go to ISI>://000224325600001},
1952   }
1953  
1954   @ARTICLE{McLachlan1993,
# Line 1956 | Line 2029 | Encoding: GBK
2029    annote = {911NS Times Cited:0 Cited References Count:14},
2030    issn = {1615-3375},
2031    uri = {<Go to ISI>://000228011900003},
2032 + }
2033 +
2034 + @ARTICLE{Meineke2005,
2035 +  author = {M. A. Meineke and C. F. Vardeman and T. Lin and C. J. Fennell and
2036 +        J. D. Gezelter},
2037 +  title = {OOPSE: An object-oriented parallel simulation engine for molecular
2038 +        dynamics},
2039 +  journal = {Journal of Computational Chemistry},
2040 +  year = {2005},
2041 +  volume = {26},
2042 +  pages = {252-271},
2043 +  number = {3},
2044 +  month = {Feb},
2045 +  abstract = {OOPSE is a new molecular dynamics simulation program that is capable
2046 +        of efficiently integrating equations of motion for atom types with
2047 +        orientational degrees of freedom (e.g. #sticky# atoms and point
2048 +        dipoles). Transition metals can also be simulated using the embedded
2049 +        atom method (EAM) potential included in the code. Parallel simulations
2050 +        are carried out using the force-based decomposition method. Simulations
2051 +        are specified using a very simple C-based meta-data language. A
2052 +        number of advanced integrators are included, and the basic integrator
2053 +        for orientational dynamics provides substantial improvements over
2054 +        older quaternion-based schemes. (C) 2004 Wiley Periodicals, Inc.},
2055 +  annote = {891CF Times Cited:1 Cited References Count:56},
2056 +  issn = {0192-8651},
2057 +  uri = {<Go to ISI>://000226558200006},
2058   }
2059  
2060   @ARTICLE{Melchionna1993,
# Line 2325 | Line 2424 | Encoding: GBK
2424    uri = {<Go to ISI>://000077460000052},
2425   }
2426  
2427 + @ARTICLE{Parr1995,
2428 +  author = {T. J. Parr and R. W. Quong},
2429 +  title = {Antlr - a Predicated-Ll(K) Parser Generator},
2430 +  journal = {Software-Practice \& Experience},
2431 +  year = {1995},
2432 +  volume = {25},
2433 +  pages = {789-810},
2434 +  number = {7},
2435 +  month = {Jul},
2436 +  abstract = {Despite the parsing power of LR/LALR algorithms, e.g. YACC, programmers
2437 +        often choose to write recursive-descent parsers by hand to obtain
2438 +        increased flexibility, better error handling, and ease of debugging.
2439 +        We introduce ANTLR, a public-domain parser generator that combines
2440 +        the flexibility of hand-coded parsing with the convenience of a
2441 +        parser generator, which is a component of PCCTS. ANTLR has many
2442 +        features that make it easier to use than other language tools. Most
2443 +        important, ANTLR provides predicates which let the programmer systematically
2444 +        direct the parse via arbitrary expressions using semantic and syntactic
2445 +        context; in practice, the use of predicates eliminates the need
2446 +        to hand-tweak the ANTLR output, even for difficult parsing problems.
2447 +        ANTLR also integrates the description of lexical and syntactic analysis,
2448 +        accepts LL(k) grammars for k > 1 with extended BNF notation, and
2449 +        can automatically generate abstract syntax trees. ANTLR is widely
2450 +        used, with over 1000 registered industrial and academic users in
2451 +        37 countries. It has been ported to many popular systems such as
2452 +        the PC, Macintosh, and a variety of UNIX platforms; a commercial
2453 +        C++ front-end has been developed as a result of one of our industrial
2454 +        collaborations.},
2455 +  annote = {Rk104 Times Cited:19 Cited References Count:10},
2456 +  issn = {0038-0644},
2457 +  uri = {<Go to ISI>://A1995RK10400004},
2458 + }
2459 +
2460   @ARTICLE{Pastor1988,
2461    author = {R. W. Pastor and B. R. Brooks and A. Szabo},
2462    title = {An Analysis of the Accuracy of Langevin and Molecular-Dynamics Algorithms},
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2886    uri = {<Go to ISI>://A1996UQ97500017},
2887   }
2888  
2889 + @ARTICLE{Schaps1999,
2890 +  author = {G. L. Schaps},
2891 +  title = {Compiler construction with ANTLR and Java - Tools for building tools},
2892 +  journal = {Dr Dobbs Journal},
2893 +  year = {1999},
2894 +  volume = {24},
2895 +  pages = {84-+},
2896 +  number = {3},
2897 +  month = {Mar},
2898 +  annote = {163EC Times Cited:0 Cited References Count:0},
2899 +  issn = {1044-789X},
2900 +  uri = {<Go to ISI>://000078389200023},
2901 + }
2902 +
2903   @ARTICLE{Shen2002,
2904    author = {M. Y. Shen and K. F. Freed},
2905    title = {Long time dynamics of met-enkephalin: Comparison of explicit and

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