Electrostatics

Overview

CHEESE Electrostatics is a cutting-edge tool designed to rapidly and accurately estimate Electrostatic Potential (ESP) and Restrained Electrostatic Potential (RESP) for molecules involved in drug development. This tool provides a significant speed advantage, accomplishing what typically takes hours, days, or even weeks with Density Functional Theory (DFT) in just seconds, while maintaining a high correlation (0.98) with DFT calculations.

Key Features

• Fast ESP/RESP Estimations: Achieve results in seconds.
• High Accuracy: Comparable to DFT with a 0.98 correlation.
• User-Friendly Interface: Designed for ease of use by both novices and professionals.
• Multiple Charge Models: Includes Gasteiger and MMFF charges for comprehensive comparisons.

Getting Started

Accessing CHEESE Electrostatics

Visit CHEESE Electrostatics to start using the tool. No installation necessary as the tool operates entirely online.

Embedded version of CHEESE Electrostatics