Sentence examples for molecular modeling programs from inspiring English sources

and GAMESS [4, 5] molecular modeling programs.

Molecular mechanics simulations were performed with two different force fields in two different molecular modeling programs.

The availability of user-friendly molecular modeling programs has made MD simulations possible for researchers whose main interest is not molecular simulation.

Be able to write programs in computer languages such as PERL, SQL and C. Learn to use genomic sequence analysis and molecular modeling programs.

We have recently completed a full rearchitecturing of the Rosetta molecular modeling program, generalizing and expanding its existing functionality.

A molecular modeling program was used to design triacylglycerol molecules with different fatty acid (e.g. oleic and linoleic) chains to illustrate their effect on the crystallization process.

Speaking the Language of Computers Charles Choi, 2 September 2005 Ryan Harrison, a recent high school graduate of the Baltimore Polytechnic Institute won fifth place in the 2005 Intel Science Talent Search for his modification of Rosetta, a computational molecular modeling program.

The DDMI protocol is implemented within the Rosetta molecular modeling program and uses rigid-body docking, sequence design, and gradient-based minimization of backbone and side-chain torsion angles to design low-energy interfaces between the scaffold and target protein.

All calculations described in this study were carried out using the SYBYL molecular modeling program (V7.1, Tripos Inc., St . Louis MO) installed in a Red Hat Enterprise Linux WS4.0 (Red Hat Inc. Raleigh, NC) operating system on a Dell Precision 690 workstation.

Here, the Rosetta enzyme design protocol, which has been recently re-implemented as part of the re-architechturing of the Rosetta molecular modeling program [7], is described in detail using as an example the isomerization of Dihydroxy-acetone-phosphate (DHAP) to Glyceraldehyde-3-phosphate (GAP) [8](Figure 1). Figure 2 shows an overview over the different stages of the design process.

The initial AR antiandrogen complex structures were then modeled with the molecular modeling program CHARMM (Brooks et al., 1983, 2009).