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Random forest-based protein model quality assessment (RFMQA) using structural features and potential energy termsConstant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian ExchangeComputational scheme for pH-dependent binding free energy calculation with explicit solvent.Global organization of a binding site network gives insight into evolution and structure-function relationships of proteins.Inverse Resolution Limit of Partition Density and Detecting Overlapping Communities by Link-Surprise.Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation.Cooperativity and specificity of Cys2His2 zinc finger protein-DNA interactions: a molecular dynamics simulation study.A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect.Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections.Modularity optimization by conformational space annealing.Enhancing constant-pH simulation in explicit solvent with a two-dimensional replica exchange method.Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge
P50
Q30366792-A327EE7F-6C8C-43A8-A2FD-D6966C5A7E3BQ33893524-12B74C10-96D2-4E97-A7AA-6C802A726A82Q36749493-AF53C245-718A-4924-92CB-1B036499EA15Q41049584-587BFF1F-269C-4075-BA54-8D741DB35EA8Q42088858-B129EA8B-06F7-427D-B60E-4CD153F0D9FCQ47567527-AF19B204-658D-4A1C-B399-B8DDE35EB1CEQ47567557-2C9ADAEE-D88A-4C9E-855E-25C1F57A97FCQ47585086-0A45602D-6CEA-46BD-89D4-7F8776E1AAA7Q47585951-25F43CF5-E682-47E8-A8F2-732998C78A40Q47596105-D1E63462-E3CD-44A2-A605-E6142B4AFD0BQ48054550-B5E77D0B-FABF-4C19-AFB7-CFC47816692DQ51319915-FDA3B7D8-C584-427E-82A2-ECE347590EA1Q53281407-29445421-64FB-418E-818F-93C0CA8D5BBBQ57397675-E99A33F8-9B9A-4F96-9A2C-AF0B7CBDA70A
P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Juyong Lee
@ast
Juyong Lee
@en
Juyong Lee
@es
Juyong Lee
@nl
Juyong Lee
@sl
type
label
Juyong Lee
@ast
Juyong Lee
@en
Juyong Lee
@es
Juyong Lee
@nl
Juyong Lee
@sl
prefLabel
Juyong Lee
@ast
Juyong Lee
@en
Juyong Lee
@es
Juyong Lee
@nl
Juyong Lee
@sl
P106
P1153
44561254800
P31
P3835
juyong-lee
P496
0000-0003-1174-4358