Dinamica molecular Software

Solución uso Scripts por CHARMM-GUI en windows 10

En el post anterior, ya logramos obtener todos los archivos de configuración y nos encontramos con un problema. Requeria comandos de linux para modificar algunos textos.En especifico era el enunciado del uso tr read system values written by CHARMM (need to convert uppercases to lowercases)exec tr “[:upper:]” “[:lower:]” < ../step3_pbcsetup.str | sed -e “s/ =//g” […]

Dinamica molecular Software

Locating Binding Sites in Protein Structures

Paul Labute and Martin SantavyChemical Computing Group Inc.Introduction | Methodology | Results | Summary | References Introduction Active sites in proteins are usually hydrophobic pockets that involve sidechain atoms. It is non-trivial to quantify this rule of thumb. Methods such as [Goodford 1985] or [Miranker 1991] use interaction energies between the receptor and different probes in an […]

Ciencia Software Technology

Mindset Kit

“Providing learning mindset resources directly to a wide audience to help them adopt practices and improve student achievement” The Mindset Kit was created by The Project for Education Research that Scales (PERTS), a research center in the psychology department at Stanford University. Our goal is to create a place where educators and parents can learn […]

Química Software

ChemDraw Ultra 12

Esta excelente suite de dibujo incluye ChemDraw ultra 12.0, ChemDraw/Excel 12.0 (W), MNova Std/lite (W), Chem3D pro 12.0 (W), ChemBioFinder Std 12.0 (W), Controles profesionales y plugins de ChemDraw y Chem3D ActiveX (W), ChemBioFinder/Office 12.0 (W) y las Bases de Datos ChemINDEX (Index, RXN, NCI y SIDA). Descargar