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CHRIS OOSTENBRINK
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Name
Affiliation
Papers
CHRIS OOSTENBRINK
BOKU Univ Nat Resources & Life Sci, Dept Mat Sci & Proc Engn, Inst Mol Modeling & Simulat, A-1190 Vienna, Austria
40
Collaborators
Citations
PageRank
95
297
38.41
Referers
Referees
References
820
240
157
Search Limit
100
820
Publications (40 rows)
Collaborators (95 rows)
Referers (100 rows)
Referees (100 rows)
Title
Citations
PageRank
Year
In Silico Identification Of Noncompetitive Inhibitors Targeting An Uncharacterized Allosteric Site Of Falcipain-2
0
0.34
2021
Efficient In Silico Saturation Mutagenesis Of A Member Of The Caspase Protease Family
0
0.34
2021
Correcting Electrostatic Artifacts Due To Net-Charge Changes In The Calculation Of Ligand Binding Free Energies
0
0.34
2020
Toward Automated Free Energy Calculation With Accelerated Enveloping Distribution Sampling (A-Eds)
0
0.34
2020
Hamiltonian Reweighing to refine Protein Backbone Dihedral-Angle Parameters in the GROMOS Force Field.
0
0.34
2020
The Effect Of Different Cutoff Schemes In Molecular Simulations Of Proteins
0
0.34
2020
Molecular dynamics of the immune checkpoint programmed cell death protein I, PD-1: conformational changes of the BC-loop upon binding of the ligand PD-L1 and the monoclonal antibody nivolumab
0
0.34
2019
GroScore: Accurate Scoring of Protein-Protein Binding Poses using Explicit-Solvent Free-Energy Calculations.
0
0.34
2019
Comparison Of Free-Energy Methods Using A Tripeptide-Water Model System
0
0.34
2018
Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting.
0
0.34
2018
MDplot: Visualise Molecular Dynamics.
1
0.36
2017
Update On Phosphate And Charged Post-Translationally Modified Amino Acid Parameters In The Gromos Force Field
1
0.36
2017
Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting.
0
0.34
2016
Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling.
0
0.34
2016
Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14.
0
0.34
2015
Molecular Dynamics Simulation Of Configurational Ensembles Compatible With Experimental Fret Efficiency Data Through A Restraint On Instantaneous Fret Efficiencies
0
0.34
2014
Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.
5
0.51
2014
Pyranose dehydrogenase ligand promiscuity: a generalized approach to simulate monosaccharide solvation, binding, and product formation.
1
0.41
2014
Design of a colicin E7 based chimeric zinc-finger nuclease.
0
0.34
2014
Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods.
3
0.50
2014
Dihedral-Based Segment Identification and Classification of Biopolymers II: Polynucleotides.
2
0.48
2014
Thermodynamic Characterization of New Positive Allosteric Modulators Binding to the Glutamate Receptor A2 Ligand-Binding Domain: Combining Experimental and Computational Methods Unravels Differences in Driving Forces.
0
0.34
2014
A Systematic Framework For Molecular Dynamics Simulations Of Protein Post-Translational Modifications
4
0.50
2013
Comparison Of Thermodynamic Integration And Bennett'S Acceptance Ratio For Calculating Relative Protein-Ligand Binding Free Energies
11
0.66
2013
Free-Energy Differences Between States With Different Conformational Ensembles
3
0.43
2013
Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase.
3
0.47
2013
Calculation Of The Relative Free Energy Of Oxidation Of Azurin At Ph 5 And Ph 9
0
0.34
2012
Free Energy Calculations Give Insight into the Stereoselective Hydroxylation of α-Ionones by Engineered Cytochrome P450 BM3 Mutants.
4
0.48
2012
Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations.
12
0.80
2012
Molecular Dynamics Simulations And Free Energy Calculations On The Enzyme 4-Hydroxyphenylpyruvate Dioxygenase
2
0.41
2011
Calculation Of Binding Free Energies Of Inhibitors To Plasmepsin Ii
3
0.44
2011
Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6.
7
0.72
2010
Efficient free energy calculations on small molecule host-guest systems - a combined linear interaction energy/one-step perturbation approach.
3
0.45
2009
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands.
4
0.63
2009
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method.
5
0.52
2006
Computational study of ground-state chiral induction in small peptides: comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations.
0
0.34
2006
The GROMOS software for biomolecular simulation: GROMOS05.
46
5.81
2005
An improved nucleic acid parameter set for the GROMOS force field.
16
1.72
2005
A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6.
151
13.93
2004
Single-step perturbations to calculate free energy differences from unphysical reference states: limits on size, flexibility, and character.
10
1.75
2003
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