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June 15, 2016
BioMolTech announced a strategic partnership with Cresset BioMolecular Discovery Ltd to distribute BioMolTech protein preparation and docking software worldwide. See the press release for details.
January 7, 2013
Our publication in the Journal of Chemical Theory and Computation is now available online: Alexey A. Zeifman, Victor V. Stroylov, Fedor N. Novikov, Oleg V. Stroganov, Val Kulkov, and Ghermes G. Chilov. Alchemical FEP Calculations of Ligand Conformer Focusing in Explicit Solvent. J. Chem. Theory Comput. DOI: 10.1021/ct300796g.
July 18, 2012
Our publication in the Journal of Computer-Aided Molecular Design is now available online: Fedor N. Novikov, Viktor S. Stroylov, Alexey A. Zeifman, Oleg V. Stroganov, Val Kulkov and Ghermes G. Chilov. Lead Finder docking and virtual screening evaluation with Astex and DUD test sets. J. Comput.-Aided Mol. Des. DOI: 10.1007/s10822-012-9549-y.
June 7, 2012
Lead Finder software is used to identify a novel class of Farnesoid X Receptor (FXR) agonists: Maura Marinozzi; Andrea Carotti; Emanuele Sansone; Antonio Macchiarulo; Emiliano Rosatelli; Roccaldo Sardella; Benedetto Natalini; Giovanni Rizzo; Luciano Adorini; Daniela Passeri; Francesca De Franco; Mark Pruzanski; Roberto Pellicciari. Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists. Bioorg. Med. Chem. 20 (2012) 3429–3445. DOI: 10.1021/ci200034y.
May 25, 2011
Our publication in the Journal of Chemical Information and Modeling is now available online: Fedor Novikov, Alexey Zeifman, Oleg Stroganov, Viktor Stroylov, Val Kulkov, and Ghermes Chilov. CSAR scoring challenge reveals the need for new concepts in estimating protein-ligand binding affinity. J. Chem. Inf. Model. DOI: 10.1021/ci200034y.
February 12, 2010
Lead Finder v.1.1.14 is released. The new version introduces major new functionality, including pre-docking preparation of protein structures and calculation of dG and VS scores for fixed ligand molecules. The improved conformational sampling algorithm and more sophisticated processing of hydrogen bonds are aimed at increasing the accuracy in docking and virtual screening studies. Refer to What's New in v.1.1.14 for more detailed information.
October 21, 2009
BioMolTech presents the science behind Lead Finder in a presentation at the Boston Area Group for Informatics and Modeling (BAGIM). An abstract of the presentation entitled "Improving accuracy in molecular docking and virtual screening experiments" is available from BAGIM's website.
March 23, 2009
Lead Finder v.1.1.12 is released. The new version provides an improved docking engine aimed at increasing the accuracy of ligand docking, binding energy calculation and virtual screening accuracy and delivers a number of bugfixes. Refer to What's New in v.1.1.12 for more detailed information.
December 23, 2008
Lead Finder v.1.1.11 is released. This interim update fixes several software problems, delivers a harmonized set of configuration parameters, a completely new online help, and a new User Guide.
November 14, 2008
Read about the science and technology behind Lead Finder in the Journal of Chemical Information and Modeling: Oleg V. Stroganov, Fedor N. Novikov, Viktor S. Stroylov, Val Kulkov, and Ghermes G. Chilov. Lead Finder: An Approach To Improve Accuracy of Protein-Ligand Docking, Binding Energy Estimation, and Virtual Screening. http://pubs.acs.org/doi/abs/10.1021/ci800166p (subscription or payment required to access the full article).
September 29, 2008
Lead Finder gets exposure in today's issue of Chemical and Engineering News (subscription required to access the article).
July 14, 2008
BioMolTech launches the new edition of its website with improved look-and-feel. The new website provides streamlined navigation and intuitive hierarchy.
July 7, 2008
BioMolTech is looking for beta-testers of the upcoming v1.2 release of Lead Finder and the new module for preparation of protein structures. Contact beta@biomoltech.com for more information.
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