AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA) | Journal of Chemical Information and Modeling
Cost allocation and profitability analysis Software by Jedox
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation | Chemical Reviews
Land | Free Full-Text | A Conceptual Model Framework for Mapping, Analyzing and Managing Supply–Demand Mismatches of Ecosystem Services in Agricultural Landscapes
A Spatio Temporal Simulation Model for Evaluating Delinquency and Crime Policies – AnyLogic Simulation Software
Full article: The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation
Comprehensive Monte Carlo Simulation Tutorial | Toptal®
Fast, Flexible Allocation for NVIDIA CUDA with RAPIDS Memory Manager | NVIDIA Technical Blog
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt | Nature Communications
Applications of process and digital twin models for production simulation and scheduling in the manufacturing of food ingredients and products - ScienceDirect
Multidimensional political apportionment | PNAS
Application of simulation modeling for wildfire exposure and transmission assessment in Sardinia, Italy - ScienceDirect
Open-Source Routing and Network Simulation | Open-Source Network Simulators
Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors | Journal of Chemical Information and Modeling
Simulation-Based Optimization of a Multiple Gas Feed Sweetening Process | ACS Omega
An energy-aware and Q-learning-based area coverage for oil pipeline monitoring systems using sensors and Internet of Things | Scientific Reports
Advancing interdisciplinary science for disrupting wildlife trafficking networks | PNAS