about
Automated docking of flexible ligands: applications of AutoDockContext-based preprocessing of molecular docking dataEvaluation of the FLEXX incremental construction algorithm for protein-ligand docking.Side-chain modeling with an optimized scoring function.Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem.A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.Mining flexible-receptor docking experiments to select promising protein receptor snapshots.Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.Enzyme-inhibitor association thermodynamics: explicit and continuum solvent studies.FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection.Molecular docking towards drug discovery.Modeling of the three-dimensional structure of the digitalis intercalating matrix in Na+/K(+)-ATPase protodimer.The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques.Conformational dynamics of subtilisin-chymotrypsin inhibitor 2 complex by coarse-grained simulations.Mapping of stereoselective recognition sites on human serum transferrin by capillary electrophoresis and molecular modelling.Solvation energy density occlusion approximation for evaluation of desolvation penalties in biomolecular interactions.Assemble-And-Match: A Novel Hybrid Tool for Enhancing Education and Research in Rational Structure Based Drug Design.Molecular docking studies of protein-nucleotide complexes using MOLSDOCK (mutually orthogonal Latin squares DOCK).Tetramethylpyrazine induces G0/G1 cell cycle arrest and stimulates mitochondrial-mediated and caspase-dependent apoptosis through modulating ERK/p53 signaling in hepatic stellate cells in vitro.Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregationEleutheroside B1 mediates its anti-influenza activity through POLR2A and N-glycosylation
P2860
Q28285420-1F402034-7C5E-4FAD-98CE-9D1804282BAAQ30763126-DE7444A5-EEA9-4FAA-9565-2653A9F8367EQ30822076-66443849-4C11-4867-A857-5437263F45F2Q31034795-C30A042B-7AFF-4957-87B7-5161F4B0010FQ33371987-41A9EAFB-A824-4F81-B9EE-A0BDCD6DF151Q33557818-7335B752-C77A-4171-9F91-509F926EE2D0Q33787280-7C584A24-38BD-4E16-AE9F-07B40383701BQ33803957-07F0C77B-5B91-4AC1-A1A3-C70F88A62083Q33916767-1CB9695A-DF4C-409B-A74B-3AF70BC90A56Q34173497-947E508B-3848-45E3-8751-8B130FF42FCFQ40947235-C9DB3490-48D7-46CD-8FB9-84D60889B8DCQ41135295-A11D42DD-983E-4F22-8341-828008325970Q42260605-7946BEE0-7F3D-4EFF-92F6-1E0941CF5A4AQ43595779-9E0F7D5D-81B2-4354-A189-15A2154DBC4CQ43938309-984E401A-B4F7-41B8-AA8D-004A5386FE5FQ46084222-68AB8332-5CFD-4AF9-870E-7109C87B0F4BQ49194256-A5C4115F-04F6-4929-9DF7-C4B5B340E771Q51411411-055EA822-BD67-45F8-99D4-F15DF8FCA998Q51843085-05398535-CD29-4317-A1CA-9D4742E5F0BFQ57184141-8CDB6992-D44A-42DE-9E87-B4363E1C9CE2Q58758066-DBD90D2D-30D8-4634-A8A5-0EDF18C2F8A3
P2860
description
1995 nî lūn-bûn
@nan
1995年の論文
@ja
1995年論文
@yue
1995年論文
@zh-hant
1995年論文
@zh-hk
1995年論文
@zh-mo
1995年論文
@zh-tw
1995年论文
@wuu
1995年论文
@zh
1995年论文
@zh-cn
name
Ligand-protein docking and rational drug design.
@en
type
label
Ligand-protein docking and rational drug design.
@en
prefLabel
Ligand-protein docking and rational drug design.
@en
P1476
Ligand-protein docking and rational drug design.
@en
P2093
Lybrand TP
P304
P356
10.1016/0959-440X(95)80080-8
P577
1995-04-01T00:00:00Z