Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes Posted on September 8, 2015December 13, 2024 by Anonymous
The OPLS [optimized potentials for liquid simulations] Potential Functions for Proteins, Energy Minimizations for Crystals of Cyclic Peptides and Crambin Posted on September 8, 2015December 13, 2024 by Anonymous
Importance of Accurate Charges in Molecular Docking: Quantum Mechanical/Molecular Mechanical (QM/MM) Approach Posted on September 8, 2015December 13, 2024 by Anonymous
Evaluation of library ranking efficacy in virtual screening Posted on September 8, 2015December 13, 2024 by Anonymous
Multiple e-pharmacophore modeling combined with high-throughput virtual screening and docking to identify potential inhibitors of ‘-Secretase(BACE1) Posted on September 8, 2015December 13, 2024 by Anonymous
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening Posted on September 8, 2015December 13, 2024 by Anonymous
The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1 Posted on September 8, 2015December 13, 2024 by Anonymous
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy Posted on September 8, 2015December 13, 2024 by Anonymous
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences Posted on September 8, 2015January 23, 2025 by Anonymous
Application of Machine Learning To Improve the Results of High-Throughput Docking Against the HIV-1 Protease Posted on September 8, 2015December 13, 2024 by Anonymous