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  2. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Proprietary, free trial available Wavefunction, Inc. TeraChem: No No Yes Yes No No Yes No Yes High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available ...

  3. Spartan (chemistry software) - Wikipedia

    en.wikipedia.org/wiki/Spartan_(chemistry_software)

    Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]

  4. 64-bit computing - Wikipedia

    en.wikipedia.org/wiki/64-bit_computing

    Mac OS X 10.4 "Tiger" and Mac OS X 10.5 "Leopard" had only a 32-bit kernel, but they can run 64-bit user-mode code on 64-bit processors. Mac OS X 10.6 "Snow Leopard" had both 32- and 64-bit kernels, and, on most Macs, used the 32-bit kernel even on 64-bit processors. This allowed those Macs to support 64-bit processes while still supporting 32 ...

  5. Permuted congruential generator - Wikipedia

    en.wikipedia.org/.../Permuted_Congruential_Generator

    The time saving is minimal, as the most expensive operation (the 64×64-bit multiply) remains, so the normal version is preferred except in extremis. Still, this faster version also passes statistical tests. [4] When executing on a 32-bit processor, the 64×64-bit multiply must be implemented using three 32×3264-bit multiply operations.

  6. 32-bit computing - Wikipedia

    en.wikipedia.org/wiki/32-bit_computing

    A 32-bit register can store 2 32 different values. The range of integer values that can be stored in 32 bits depends on the integer representation used. With the two most common representations, the range is 0 through 4,294,967,295 (2 32 − 1) for representation as an binary number, and −2,147,483,648 (−2 31) through 2,147,483,647 (2 31 − 1) for representation as two's complement.

  7. Drug design - Wikipedia

    en.wikipedia.org/wiki/Drug_design

    Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. [1] The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein , which in turn results in a ...

  8. The AOL.com video experience serves up the best video content from AOL and around the web, curating informative and entertaining snackable videos.

  9. Mathcad - Wikipedia

    en.wikipedia.org/wiki/Mathcad

    As of 2024, the latest release from PTC is Mathcad Prime 10.0.0.0. This release is a freemium variant: if the software is not activated after a Mathcad Prime 30-day trial, it is possible to continue using PTC Mathcad Express for an unlimited time as "PTC Mathcad Express Free-for-Life Engineering Calculations Software". This freemium pilot is a ...