Timeline
The REPO4EU Horizon Europe project currently building a European/Global Platform and Infrastructure for Drug Repurposing will host its 3rd International Conference on Systems Medicine, Artificial Intelligence and Drug Repurposing. It will take place in Munich, Germany, from July 3-5
We are proud of our collaboration with the University of Milan for the study and modelling of the mAb 9F8-TF system.
The second NEWROAD project meeting will be held at Laminar Pharmaceuticals S.A., Palma de Mallorca, on March 26th, 2024. Following the kickoff in Salerno, Italy, this gathering will review progress, discuss future directions, and explore advancements in the project. It aims to strengthen collaborations and set strategic paths for oncological research innovations.
We proudly announce a significant advancement in our protein folding prediction tool, Folden. Utilizing cutting-edge artificial intelligence techniques, Folden parallels DeepMind's AlphaFold performance in predicting static protein structures. However, Folden surpasses AlphaFold by also predicting protein dynamics, a crucial aspect in understanding protein function and interactions. This breakthrough integrates advanced AI algorithms with molecular dynamics simulations, offering a comprehensive view of protein behavior. This development opens new horizons in drug discovery and biomaterials research, addressing complex biological systems more effectively.
We are thrilled to announce that our CEO will be participating in the upcoming BioTechX USA Congress. The event will be held Sept. 6-7, 2023, in Santa Clara, home of Silicon Valley. Our CEO will be delivering a captivating talk titled "Empowering Tomorrow's Medicine: Unveiling the AI-Powered Frontier in Drug Discovery".
This pioneering method determines binding DeltaG by dissecting the thermodynamic cycle governing receptor-ligand-solvent interactions, encompassing solvation/desolvation and binding processes. The level of precision has reached an unprecedented 0.8 kcal/mol.
INSIDE is a cutting-edge artificial intelligence tool designed to revolutionize the field of bioinformatics and structural biology. Its primary function is to identify and characterize allosteric sites within protein receptors. Allosteric sites are critical regions on a protein's surface that modulate its activity by binding to specific ligands, thereby regulating cellular processes. Understanding and pinpointing these sites is crucial for drug discovery, as it can lead to the development of targeted therapies for various diseases.
The integration of peptide similarity search methods with the AI platform is finally ready. In the coming months, the new open Yadamp2 antimicrobial peptide database will be released to the public, and the new computational suite will be available to users of the SoftMining platform.
Another important step forward in SoftMining growth.
Bind+: an accurate free energy calculations for drug discovery
The calculation of binding DeltaG is obtained from a thermodynamic cycle of solvation/desolvation and binding of a receptor-ligand-solvent system in which the entropic contribution of water is accurately determined. The use of Bind+ reduces up to 1,000-fold the number of false positives in virtual screening.
Proud of our last awards: "100 Best Innovative Technologies for International Cooperation" and "China Overseas Talents Innovation and Entrepreneurship". We are proud that our work is also attracting attention from China.
The aim of the NEWROAD project is to develop an EU-wide capability for Systematic Drug Repurposing (SDR). To achieve this, NEWROAD will develop an open, collaborative, in silico platform for drug repurposing in oncology based on Augmented Intelligence (AuI) architecture layered on top of Artificial Intelligence (AI) algorithms, initially targeted at rare and paediatric cancer research. The kickoff meeting of the NEWROAD project will take place in Salerno, Italy, on November 28th, 2022, with partners University of Salerno, Laminar Pharma SA and Biovista Inc. This project is co-funded by the European Commission for 1.6 M € grant agreement 101080024.
The extremely high throughput virtual screening tool EHTVS is finally available. This allows the screening of libraries of more than 10^12 ligands on hundreds of receptors with a speedup of more than 6 orders of magnitude! This means screening all known molecules on your target in one day.
Another important step forward in SoftMining growth
Matisse can calculate the similarity between binding pockets in terms of geometry and topology. It is used in drug repurposing and toxicity/selectivity assessment.
AI tool for binding energy estimation that employs the molecular dynamics of water molecules on the surface of a receptor. Valid for identifying binding sites and for an accurate calculation of the free energy variation in a binding process.
SoftMining receives a Eurostars (Eureka Network) grant for its innovative MIND project, which aims to identify drugs targeting neurological diseases.
The project is in partnership with the University of Salerno and Laminar Pharma srl.
SoftMining has developed semantic analysis methods of wide applicability. Its proposal has been rated as excellent by IRCAI reviewers and therefore has made it into the top 100 projects list. https://ircai.org/top100/entry/echealth/
Our new tool WET marks a tremendous advance in predicting the proper binding of small molecules. Indicating the correct ligand pose, WET achieved an RMSD between the experimental and predicted pose <1Å in 100% of the tested complexes.
Moreover, WET can predict the binding energy of complexes with high accuracy. The model was validated on a set of 250 receptor-ligand complexes with known experimental binding energy.
During the 2020s, there has been extensive debate about the possibility of using contact tracing (CT) to contain the SARS-CoV-2 pandemic, and concerns have been raised about data security and privacy. Little has been said about the effectiveness of CT. In this paper, we present a real data analysis of a CT experiment that was conducted in Italy for 8 months and involved more than 100,000 CT app users.
A new paper published on J Med Internet Res 2021;23(8):e28947
doi: 10.2196/28947
We filed patent applications for two novel antimicrobial peptides active on Gram+ and partially selective for Staphylococcus aureus. The sequences are promising leads for the development of antimicrobial drugs that are not susceptible to antibiotic resistance and highly selective for S. aureus.
The novel peptide sequences were obtained using our Drug Discovery Platform, based on proprietary neural networks.
The new SoftMining project named MIND ((Molecules Inhibiting Neurodegenerative Diseases) has obtained the “Campania Start Up 2020” – PO FESR 2014-2020 funding from Regione Campania
We filed two patents that leverage Bluetooth Low Energy (BLE) for interface and distance estimation between mobile devices.
The developed methods enable devices to detect the presence of another device even if they have different operating systems, and to estimate the distance between them reliably and efficiently without establishing a persistent connection between the two devices.
FOLDEN has numerous applications. The prediction of the distance and orientation between residues can be useful not only to predict the three-dimensional structure of a protein, but in all fields in which the interactions that are established between two proteins must be analyzed.
Examples of these applications are:
– the docking protein/protein or protein peptide,
– the different induced fit of a protein target in relation to interactions with a pool of ligands
– self-assembly of peptides on surfaces or membranes. This last aspect is particularly useful for the analysis of the mechanism of action of antimicrobial peptides.
3D structure (PDB: 6PTE) predicted with FOLDEN 0.98 Å RMSD
We are proud to announce that SoftMining was selected for the semifinals of Global Interent Competition Straight to Wuzhen. Together with us also a german startup InfraMobility and from UK, Ancon Technology, a cloud-based biomarker application using artificial intelligence and machine learning technologies to help identify volatile organic compounds.
The World Internet Conference is a worldwide Internet-focused event hosted annually by the Cyberspace Administration of China and Zhejiang Provincial People’s Government. It is the conference of highest level that has the most participants in China, and also the top-level summit around the world. The conference is aimed to provide an international platform for China to connect itself with the world and a Chinese platform for the Internet governance based on international collaboration and common interests, so that all countries can have win-win cooperation by seeking consensus through communications.
Convivio Giffoni Film Festival, is a multi platform App (Android and iOS) used during the event to indicate the safety distance to be observed.
ImmersiveACT at the Salerno DIOCESAN MUSEUM CONFERENCE ROOM Filippo Trotta and Stefano Piotto will present Immersive ACT.
The new app developed by SoftMining s.r.l. that is part of the Alfonso Gatto Foundation’s art and urban regeneration activities.
https://www.salernoletteratura.com/evento/passeggiate-sonore/
Compatibility with the Google+Apple API adds value to the algorithms and statistical models we are developing.
For more details visit
https://smcovid19.org/
Wired analyzed all the apps that can already be used for coronavirus contact tracing.
Among them is SM_Covid19
You can find the article on WIRED.IT
SoftMining’s team of specialists developed an app called “SM_Covid19” that can assess the risk of virus transmission by monitoring anyone who tests positive.
You can find the article here
The EIT Health Matchmaking event from 4 to 6 February in Berlin closes the series of Matchmaking Events for the EIT Health Business Plan 2021.
SoftMining is present in Foshan – Wenzhou – Beijing for the “China-Italy Best Startup Show Case & Entrepreneurship Competition”
The concept of chemical space is widely used in the pharmaceutical field in the design of libraries and datasets. Virtual chemical space is astronomically large, and exploring it computationally is impossible. Our new tool Flocking© generates libraries of analogues directly in the binding site during molecular dynamics. Flocking© explores the chemical space and finds the best combinations for the binding pocket in a far more efficient way than the random compound generation of classical combinatorial chemistry. The tool combines the advantages of Structure-Based Drug Design with the accuracy of molecular dynamics, drastically reducing the number of possible compounds to analyze.
SoftMining is present in Hamburg at the BIO-Europe Conference, 25th Annual International Partnering Conference
SoftMining is among the startups selected by the EIT Health Innostars Headstart program
SoftMining receives the third prize during the China Italy Best Startup Showcase
SoftMining is present at BIONAM2019 the international conference on Bio and Nanomaterials.
SoftMining CEO Stefano Piotto was present at CLINGLIO Meeting held in Palma in May 2019. The CLINGLIO project aims to advance a novel drug, 2OHOA, for the treatment of glioblastoma towards an initial market entry in Europe. For this purpose, the CLINGLIO project will encompass a demonstrative phase IIB clinical study to evaluate the efficacy of an innovative therapy, based on 2OHOA and SoC in subjects with primary newly diagnosed glioblastoma.
We have developed a tool (PDBclean) to automatically and quickly pre-process the PDB file of the step 1. The output consists of a minimized structure formed at least by ligand and receptor. Metals are not overlooked but recognized as part of the receptor, as well as the co-factors. Molecules such as crystallization solvent or dissolved impurities are removed. The crystallographic structure of the ligand/receptor complex is restricted to a monomer to simplify and speed up the next steps.
Softmining CEO Stefano Piotto was a guest at “2019 Chengdu International Business Experience – New international perspective, new business opportunities”, a 5 day event aimed at further improving the connection between international business resources and the market of Chengdu.
See the video here
The project presented by SoftMining for the development of a platform AI-based for drug design has been financed by the Smart & Start Italy program.
Legal office in Avellino (Italy), headquarter in Fisciano (SA) (Italy)