Results 161 to 170 of about 185,227,745 (225)

Virtual Screening for Dual Inhibitors of HDAC6 and MPO: A Multistep Approach Integrating Chemical Space Analysis and Molecular Docking. [PDF]

ACS Omega
de Viveiros BM, Lima CHS, Romeiro NC.
europepmc   +1 more source

Comparative Network Pharmacology and Molecular Docking Analysis of Ursodeoxycholic Acid and Tauroursodeoxycholic Acid in Alzheimer's Disease-Associated Molecular Networks. [PDF]

Pharmaceuticals (Basel)
Zhou B, Zhong Y, Meng X, Xu B, Jia L.
europepmc   +1 more source

Computational network pharmacology and molecular simulations to explore the potential mechanisms of Pyrrosia piloselloides compounds against prostate cancer. [PDF]

J Egypt Natl Canc Inst
Havid H, Ysrafil Y, Fatmaria F, Musyaffa MR, Sinuhaji MSC, Pratika RA.   +5 more
europepmc   +1 more source

Extraction and Identification of the Sea Cucumber <i>Holothuria Parva</i>, Secondary Metabolites and Investigation of Their Potential Anti-SARS-Cov-2 Activities Using Molecular Docking. [PDF]

Iran J Biotechnol
Roshani M, Archangi B, Amini F.
europepmc   +1 more source

PockLigGPT: Pocket-Sequence-Conditioned Molecular Generation with GPTs and RL. [PDF]

J Chem Inf Model
Varas Pardo P, Marcos-Ayuso G, Ulzurrun E, Ríos Insua D, Campillo NE.   +4 more
europepmc   +1 more source

Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS. [PDF]

J Comput Aided Mol Des
Chung J, Bhatt A, Levine JE, Lin YC, Zhao M, MacKerell AD, Jo S, Kosaraju SC, Luo YL.   +8 more
europepmc   +1 more source