Publicly Shared Collections

articles
Last updated in Jan 19, 2011 6:27 AM Number of Items: 67 Viewed: 2690 times
Description:
Keywords:
BACE1
Sort by: Last Updated | Year | Type | Title Order: Descending
Clear results
 
Save item(s) into WizFolio Export to RIS, BibTeX, APA, Chicago, etc.
1.

Gabedit—A graphical user interface for computational chemistry softwares

Journal of Computational Chemistry , Volume 32 , Issue 1 (2011)
Abdul-Rahman Allouche
2.

Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes

Journal of Chemical Theory and Computation , Volume 5 , Issue 7 (2009)
Jan Řezáč , Jindřich Fanfrlík , Dennis Salahub , Pavel Hobza
3.

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods

Journal of Chemical Theory and Computation , Volume 6 , Issue 1 (2010)
Martin Korth , Michal Pitoňák , Jan Řezáč , Pavel Hobza
4.

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

Journal of Molecular Modeling , Volume 13 , Issue 12 (2007)
James JP Stewart
5.

Application of the PM6 method to modeling proteins

Journal of Molecular Modeling , Volume 15 , Issue 7 (2009)
James Stewart
6.

COSMO: A new Approach to Dielectric Screening in Solvents with Explicit Expressions for the Screening Energy and its Gradient.

J Chem Soc Perkin Trans 2 , Volume 5 (1993)
A Klamt , G Schüümann
7.

MOPAC 2009, Computational Chemistry.

Version 10040L (2009)
JJP Stewart
8.

Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation

The Journal of Physical Chemistry B , Volume 107 , Issue 24 (2003)
Pengyu Ren , Jay W Ponder
9.

The Protein Data Bank. A computer-based archival file for macromolecular structures.

European journal of biochemistry / FEBS , Volume 80 , Issue 2 (1977)
F C Bernstein , T F Koetzle , G J Williams , E F Meyer , M D Brice , J R Rodgers , O Kennard , T Shimanouchi , M Tasumi
10.

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Molecular Physics: An International Journal at the Interface Between Chemistry and Physics , Volume 19 , Issue 4 (1970)
SF Boys , F Bernardi