Binding site detection and druggability index from first principles.
about
Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe MoleculesProtein flexibility in docking and surface mappingThe free energy landscape of small molecule unbindingUsing Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1Structure-based druggability assessment of the mammalian structural proteome with inclusion of light protein flexibilityTo Hit or Not to Hit, That Is the Question - Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa ProteinspMD-Membrane: A Method for Ligand Binding Site Identification in Membrane-Bound ProteinsParameter choice matters: validating probe parameters for use in mixed-solvent simulations.Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.Full protein flexibility is essential for proper hot-spot mapping.Rapid analysis of pharmacology for infectious diseasesTackling the challenges posed by target flexibility in drug design.Quantitative characterization of local protein solvation to predict solvent effects on protein structure.Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studiesPerspectives on the discovery of small-molecule modulators for epigenetic processes.Improving protocols for protein mapping through proper comparison to crystallography data.Druggable protein interaction sites are more predisposed to surface pocket formation than the rest of the protein surfaceAnalysis of the interaction interfaces of the N-terminal domain from Pseudomonas aeruginosa MutLStructure-based virtual screening for drug discovery: principles, applications and recent advances.Binding hotspots on K-ras: consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis.Identification of protein-ligand binding sites by the level-set variational implicit-solvent approachSite Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug designLigand deconstruction: Why some fragment binding positions are conserved and others are notNew Frontiers in DruggabilityIdentifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test caseScaling the druggability landscape of human bromodomains, a new class of drug targets.Pocket-based drug design: exploring pocket spaceThe FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems.Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics.Heterogeneous Hydration of p53/MDM2 Complex.In silico fragment-based drug design.Bridging the past and the future of virology: surface plasmon resonance as a powerful tool to investigate virus/host interactions.Computational solvent mapping in structure-based drug design.Review structure- and dynamics-based computational design of anticancer drugs.Computational allosteric ligand binding site identification on Ras proteins.Computational generation inhibitor-bound conformers of p38 MAP kinase and comparison with experiments.Computational functional group mapping for drug discovery.
P2860
Q24633124-2D1CDF1E-CBEF-44E3-84A0-29D938EE7C8EQ26864013-7CB988AB-B643-49B0-9F81-AC899F4875A8Q27333830-98A4C4C6-2E1C-47FC-A750-E3E52F4F1825Q27672807-0920C224-3C70-49CB-8E59-5B73E3B4B9CDQ28541379-710686C8-1F02-471A-9930-3F721A44070AQ28547877-7BBE5FCE-CF09-4002-9AD7-16EF47BE5F6DQ28550500-9C213D1C-CBD6-4BD3-B260-7F144483828FQ30365087-D73C9600-42EF-4DF8-B9D3-4E35DFC2D64BQ30396236-46FA3075-D3FF-4D73-946B-BAB7919A533DQ30397411-19614E77-4091-46B0-911A-374D37CD49EAQ30400724-E9116DED-100B-4B85-B6C0-BE845C6C94D4Q30419540-FF15EE95-2A32-4F25-8DB3-A9DAB6F085AEQ30421481-F000D2F3-61C1-49D8-854F-56BC9A8C0FCDQ33751702-FBB04279-3D37-45E0-AAC5-5B9AD1E692BFQ33915380-F174D84E-EA4D-47CA-B616-0C178AC9E517Q33945786-C0AE8446-DDFC-488F-A7D8-B6756869C06BQ34185471-F3430B27-B08B-4F14-8BA9-67B2FB8E4401Q34552566-3FFEE2AD-53DC-4D1E-B03F-D8D008F7836DQ34625325-763C214D-B099-462C-A0A7-CF4600E468CFQ34904714-C0E3BCE2-ADC7-456F-8774-4722BD0EA535Q35282223-23562701-7B8B-44E0-8565-1188F5AA6C22Q35450396-24777C38-5D5A-4B8C-983C-780642F573D4Q35541964-A73F88B0-300F-4F51-A4E0-D80D4A35B924Q35566613-E5D6EA9C-2C81-4738-8F4F-9D96A4482CC1Q35616254-F0D5706B-16C1-4455-9A51-076AFB685273Q35730955-E92464C6-8E01-4A3F-9CDB-F78A89340064Q36218072-30AF03A1-6A82-48F5-8945-64F05F1389EDQ36266769-FD694161-23E7-47A8-A9F6-8B7845751767Q36502439-FC9C8F4B-3D98-4326-87EC-96739663927CQ36604792-EAE31F02-93A8-4496-A9FF-2337028412BFQ37558652-72A1CA43-33B1-40DF-9577-96E29886EE3BQ37565935-B7DEEB6E-1A78-44BF-A356-5FEEF90A583AQ37644132-F19EFB8B-B7CD-426B-8253-B8526ED79465Q38029118-CCAF5C50-17ED-4BD2-B9AE-DBD5805D5795Q38141148-A9C6CCA0-4E5B-4268-993A-10A06A9A2158Q38397344-F8740B51-CAC1-473F-9A61-E55CDC757639Q38589320-0D8478E3-BD67-4C76-809B-8CC4DFC56899Q38612789-C2845A6F-8896-44CA-9A9B-42DA3E5FDD98Q38834773-BBF6630B-DB69-4451-9DB9-8B18B1DD44EBQ38890648-35068A47-D66A-4665-8F7F-E4FCB06868A1
P2860
Binding site detection and druggability index from first principles.
description
2009 nî lūn-bûn
@nan
2009 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Binding site detection and druggability index from first principles.
@ast
Binding site detection and druggability index from first principles.
@en
Binding site detection and druggability index from first principles.
@nl
type
label
Binding site detection and druggability index from first principles.
@ast
Binding site detection and druggability index from first principles.
@en
Binding site detection and druggability index from first principles.
@nl
prefLabel
Binding site detection and druggability index from first principles.
@ast
Binding site detection and druggability index from first principles.
@en
Binding site detection and druggability index from first principles.
@nl
P356
P1476
Binding site detection and druggability index from first principles
@en
P2093
Jesus Seco
P304
P356
10.1021/JM801385D
P407
P577
2009-04-01T00:00:00Z