Lv11
50 积分 2023-04-14 加入
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
17天前
已完结
Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 Mpro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants
24天前
已完结
Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid
1个月前
已完结
19F qNMR based pharmacokinetics, metabolism and mass balance studies of SARS-CoV-2-3CL protease inhibitor simnotrelvir (SIM0417) in humans
1个月前
已完结
Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation
1个月前
已完结
Novel mutant-selective EGFR kinase inhibitors against EGFR T790M
1个月前
已完结
Markov models—Markov chains
1个月前
已完结
Quantum-enhanced Markov chain Monte Carlo
1个月前
已完结
MMFA-DTA: Multimodal Feature Attention Fusion Network for Drug-Target Affinity Prediction for Drug Repurposing Against SARS-CoV-2
2个月前
已完结
Identification of Active Molecules against Thrombocytopenia through Machine Learning
2个月前
已完结
Effect of heat treatment on conformation and aggregation properties of wheat bran dietary fiber-gluten protein
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