Peptide–protein docking is challenging due to peptide flexibility. This blog shows how MolSoft ICM improves modeling and docking accuracy using advanced sampling and intelligent rescoring for drug discovery.
Resource Centre
Recap – Molsoft India User Group Meeting 2025
We are delighted to present a recap of the MolSoft India User Group Meeting 2025—successfully hosted by Advent Informatics Pvt. Ltd. in Bengaluru. The event united researchers and industry experts to explore Molsoft’s ICM platform in drug discovery.
ICM Molsoft: RNA–protein docking
An overview of RNA–protein docking using MolSoft ICM, highlighting FFT-based sampling, multistage scoring, electrostatic effects, and benchmark validation for accurate prediction of protein–RNA interactions.
AI Meets Synthetic Chemistry: ChemPass SynSpace
ChemPass SynSpace fuses AI and synthetic chemistry to rapidly design and optimize makeable molecules, slashing discovery timelines and costs while empowering teams to deliver better medicines, faster.
PROTAC Introduction and Tutorial
Explore PROTACs, a breakthrough in targeted protein degradation, covering their design, mechanism, clinical applications, and structure-guided modeling with MolSoft ICM-Pro to create effective degraders for challenging drug targets.
Post-Docking Analysis and it’s importance.
Explore post-docking analysis in computational drug discovery—validating docking predictions with residue-level checks, water network analysis, MD simulations, and MolSoft ICM-Pro tools to refine virtual hits into reliable experimental candidates.
Molsoft 2025 UGM
We are thrilled to announce the MolSoft India User Group Meeting 2025, following the overwhelming success and enthusiasm of our first gathering. Join us on 12th December in Bangalore for a 1 day event filled with user presentations and technology discussions.
RIDE: Ultra-Fast 3D Ligand-Based Screening Method
RIDE allows you to screen 1.5 million conformers/sec/GPU, if you have a CPU you can screen 6000 conformers/sec/CPU. RIDE enables rapid identification of novel chemotypes (scaffold hopping) with similar 3D pharmacophoric and physicochemical features.
Molsoft Modules Made Easy: Choose What Works for You
When evaluating ICM Pro for structure- and ligand-based drug discovery, it’s key to understand the technical, scientific, and workflow features. The core ICM Pro and the expanded option with Virtual Ligand Screening (VLS) are the main configurations.
Unlocking the Power of APF Technology of Molsoft
Unlocking the Power of APF Technology of Molsoft Introduction to Virtual Screening In the field of drug discovery, virtual screening (VS) has become a prominent computational technique for identifying promising…
Recap – Molsoft India User Group Meeting 2024
Recap – Molsoft India User Group Meeting 2024 We are absolutely elated to share the highlights of the first-ever Molsoft India User Group Meeting 2024, held on 6th December in…
Chemaxon’s Academic Package
Chemaxon Academic package We are launching a special package to enable academicians to get access to global state-of-the-art chemoinformatics software. Chemaxon is a world leader in providing chemoinformatic solution to…
Molsoft India Users Group Meeting 2024
Event DetailsWhy JoinSpeakersAgendaRegisterVenueMolsoft India User Group Meeting 2024 Connecting ideas, building success 10:00 AM to 5:00 PM | 6th December, 2024 | Bengaluru Event Details Our user base for Molsoft tools…
Lunch and Learn India 2024
Lunch and Learn India 2024 Accelerate Your Research with Industry Leading Solutions Bangalore – May 28, 2024 Hyderabad – May 29, 2024 Ahmedabad – May 30, 2024 What is Lunch…
SAR analysis using Molsoft tools
SAR (Structure- Activity Relationship) Analysis SAR (Structure- Activity Relationship) is a critical part of drug discovery and is useful in multiple stages during the process of drug discovery. SAR analysis…
Hands-on workshop in NIRMA UNIVERSITY
“Hands-on Workshop on Molecular Modeling using Molsoft’s ICM tools at NIRMA University” We are organizing a hands-on workshop in collaboration with Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University…
ICM Ligand Editor – intuitive graphical interface for ligand optimization and drug design by Molsoft
ICM Ligand Editor – intuitive graphical interface for ligand optimization and drug design by Molsoft The ICM Ligand Editor is a user-friendly graphical interface designed for optimizing ligands and facilitating…
Press Release – Think Molecular to leverage Molsoft’s ICM Pro for Molecular Modeling services
Press Release – Think Molecular continues to leverage Molsoft’s ICM for Molecular Modeling services 22nd January 2024, Pune/ Bengaluru: We are excited to announce that thinkMolecular technologies, a molecular simulations…
Successful Hypothesis and Synthesis tracking with Chemaxon’s Design Hub
In this webinar, Dora Barna, Chemaxon’s Principal Application Scientist presented how a hypothesis and synthesis management platform facilitates data-driven decision-making and increases the efficiency of drug discovery project execution.
Molsoft’s ICM vs Others: A compilation of comparative studies
There have been some comparative studies done by independent researchers and evaluators wherein they have compared the Molsoft’s ICM with other molecular modeling tools in the market. Read on to know how ICM has outperformed others.