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ViCi - in-silico ligand-based drug design

Introduction

ViCi is an innovative software for ligand-based drug design available free of charge to academic researchers via this webserver. ViCi uses a combination of mathematical descriptors of molecular size, shape and topology to describe small molecule structures. Following input of a template molecule, typically that of a known ligand in its bound conformation in a particular protein, the software will rapidly screen a database (currently 8 million compounds) and extract those predicted to have similar shape and electrostatic compositions and therefore to be possible ligands for the same protein. Results are typically obtained in a matter of hours and are returned to the user ranked by probability of binding.


Instructions

Access to the ViCi webserver is via a token-based system and is available only to bona fide academic researchers who have indicated their agreement with the terms and conditions of the license, which can be read here. If you are an academic user and do not have tokens for use of the software, please complete the section below with your name and e-mail address and you will receive a set of tokens by return e-mail. If you have already been supplied with valid tokens, please indicate so by clicking on the 'I already have a valid token' button below. If you intend to make use of the server for commercial purposes or otherwise do not agree with the terms of the license, please contact Victor Lamzin for making special arrangements.


User Details