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38 积分 2025-08-06 加入
High-Throughput Approach for Minimum Energy Pathway Search Using the Nudged Elastic Band Method with Efficient Data Handling and Parallel Computing
24天前
已完结
Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse Targets
1个月前
已完结
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening
4个月前
已完结
Accurate Physics-Based Flexible Docking of Macrocyclic Ligands
5个月前
已完结
SMARTDock: A Toolkit for the Automated Development of Target-Specific Scoring Functions Using Bioactivity Data
6个月前
已完结
CIFDock: A novel CHARMM‐based flexible receptor–flexible ligand docking protocol
6个月前
已完结
Template-Based Docking Using Automated Maximum Common Substructure Identification with EnzyDock: Mechanistic and Inhibitor Docking
6个月前
已完结
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein–Cyclic Peptide Complexes
7个月前
已完结
GOLEM: Automated and Robust Cryo-EM-Guided Ligand Docking with Explicit Water Molecules
7个月前
已完结
XDock: A General Docking Method for Modeling Protein–Ligand and Nucleic Acid–Ligand Interactions
7个月前
已完结
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