about
Anatomy of enzyme channelsMOLE 2.0: advanced approach for analysis of biomacromolecular channelsAtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data BankThe Eighth Central European Conference "Chemistry towards Biology": SnapshotPatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank.MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes.MOLEonline 2.0: interactive web-based analysis of biomacromolecular channelsPredicting pKa values from EEM atomic charges.Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes.Searching for tunnels of proteins – comparison of approaches and available software tools.SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.QSPR designer – employ your own descriptors in the automated QSAR modeling process.Consistency of sugar structures and their annotation in the PDB.PDBe: towards reusable data delivery infrastructure at protein data bank in Europe.QSPR designer – a program to design and evaluate QSPR models. Case study on pKa prediction.ChannelsDB: database of biomacromolecular tunnels and pores.LiteMol suite: interactive web-based visualization of large-scale macromolecular structure data.MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update).SiteBinder: An Improved Approach for Comparing Multiple Protein Structural MotifsMole 2.5 - Tool for Detection and Analysis of Macromolecular Pores and ChannelsBiomacromolecular Fragments and PatternsChannel CharacteristicsCharacterization via ChargesComplete Process of Data Extraction and AnalysisConcluding RemarksDetection and Extraction of FragmentsDetection of ChannelsExercises SolutionIntroductionStructural Bioinformatics Databases of General UseStructural Bioinformatics Tools for Drug DesignValidationMethod of Solving the Volume Between Triangulated Mesh Surfaces
P50
Q21146741-8C50DD45-13CF-485D-A56D-D87276ECA93BQ27703086-BA650D9C-5436-4520-913D-BA4ECF471720Q27902363-B51E8A4D-F099-4200-A2D9-E0044A20B018Q28650456-F8517CC7-BC30-4B86-A6B8-5FB0B31BD9CAQ28817788-311F383D-A9DD-4A6D-BF6F-088EEC2DF4BFQ30959259-8E769C62-2985-4FEA-821B-C69D452C8658Q33860752-D42F72F2-174D-4A36-8710-F8D5078F1E77Q36088495-A4852E07-ECC2-4999-A3F3-0AA6CD70D66AQ36874473-DE5AA297-2127-496E-BAD2-A49D66982C37Q44103023-F4BDD7A9-320A-4140-AC6B-45559E2CE600Q45789006-C9D63FB7-3C84-4AF5-A912-2827DB78D5AFQ45789254-55D3291A-4441-4B62-AFC0-6021C6AD9D5CQ45789299-D451DE88-19B4-4AB3-8699-CDB3FED01152Q46404800-885BDEA4-5F71-4D34-B8B0-409A0FB44C3DQ47100357-4E6B572B-F010-4571-AAA6-3DE831BC19C4Q47168968-FDD1E951-39CE-49EF-BA66-42467416484CQ47193791-3734CA5C-7503-4CA2-AC4F-447541042614Q47347390-38709743-85A2-4882-93A7-577159BD2AF0Q55518680-FDC886AC-F662-4CA6-B8B8-1BC869C68FF3Q56084950-BF51CE65-1BBC-4201-8CD1-B3ED9542D6E3Q56878905-CEB7C8F6-25F9-4FBA-9004-AFD8BBC6BEF4Q56878908-37194932-503B-46A4-AC01-692783D95F89Q56878909-FE4B800D-C429-4B85-8A12-344C7EDAF40CQ56878910-4737FB0A-FB5E-4D97-A264-9C3CB7025363Q56878911-045FA762-2995-4CBA-8C21-97E7DEB5AB18Q56878912-94256E66-716E-40B3-8F5F-61462B90DE5CQ56878914-A55D9A38-C50A-469D-B3CB-DA43AC681A04Q56878915-1A502CAE-D66E-425B-8D0C-84AA23B0A4EFQ56878916-0FA43619-81E0-4080-9BD1-6EDE1BD1AB58Q56878917-595EA1A2-C4D9-4AF2-8259-970C75D3C1CAQ56878919-8B04CD36-EE5B-42D4-807A-D04F2C4A87D2Q56878920-09980777-6971-49CB-B66B-8C13F09F0137Q56878922-4B7C25AA-5CCF-4ED2-9861-5AA8C94CC47DQ57956724-4FC0C2A2-7BE3-41B4-9E38-AE55F466BCB3
P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
David Sehnal
@ast
David Sehnal
@en
David Sehnal
@es
David Sehnal
@nl
David Sehnal
@sl
type
label
David Sehnal
@ast
David Sehnal
@en
David Sehnal
@es
David Sehnal
@nl
David Sehnal
@sl
prefLabel
David Sehnal
@ast
David Sehnal
@en
David Sehnal
@es
David Sehnal
@nl
David Sehnal
@sl
P106
P1153
16246394000
P21
P2456
P31
P496
0000-0002-0682-3089