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Holger Gohlke
Holger Gohlke
Professor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum Jülich
Bestätigte E-Mail-Adresse bei uni-duesseldorf.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Amber 14
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, 2014
14203*2014
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
11941*2008
The Amber biomolecular simulation programs
DA Case, TE Cheatham, T Darden, H Gohlke, R Luo, KM Merz, A Onufriev, ...
Journal of computational chemistry 26 (16), 1668-1688, 2005
96912005
AMBER 9 University of California
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
San Francisco, 2006
3873*2006
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
BR Miller III, TD McGee Jr, JM Swails, N Homeyer, H Gohlke, AE Roitberg
Journal of chemical theory and computation 8 (9), 3314-3321, 2012
33652012
Knowledge-based scoring function to predict protein-ligand interactions
H Gohlke, M Hendlich, G Klebe
Journal of molecular biology 295 (2), 337-356, 2000
14552000
Insights into protein–protein binding by binding free energy calculation and free energy decomposition for the Ras–Raf and Ras–RalGDS complexes
H Gohlke, C Kiel, DA Case
Journal of molecular biology 330 (4), 891-913, 2003
12862003
Approaches to the description and prediction of the binding affinity of small‐molecule ligands to macromolecular receptors
H Gohlke, G Klebe
Angewandte Chemie International Edition 41 (15), 2644-2676, 2002
10852002
Free energy calculations by the molecular mechanics Poisson− Boltzmann surface area method
N Homeyer, H Gohlke
Molecular informatics 31 (2), 114-122, 2012
9542012
Converging free energy estimates: MM‐PB (GB) SA studies on the protein–protein complex Ras–Raf
H Gohlke, DA Case
Journal of computational chemistry 25 (2), 238-250, 2004
9512004
Assessing scoring functions for protein− ligand interactions
P Ferrara, H Gohlke, DJ Price, G Klebe, CL Brooks
Journal of medicinal chemistry 47 (12), 3032-3047, 2004
6002004
AMBER 10; University of California: San Francisco, 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
Google Scholar There is no corresponding record for this reference, 2008
5282008
A toolkit and benchmark study for FRET-restrained high-precision structural modeling
S Kalinin, T Peulen, S Sindbert, PJ Rothwell, S Berger, T Restle, ...
Nature methods 9 (12), 1218-1225, 2012
4632012
DrugScoreCSDKnowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and …
HFG Velec, H Gohlke, G Klebe
Journal of medicinal chemistry 48 (20), 6296-6303, 2005
4422005
AMBER 6, University of California, San Francisco, 1999
DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, WS Ross, ...
There is no corresponding record for this reference, 2007
383*2007
Target flexibility: an emerging consideration in drug discovery and design
P Cozzini, GE Kellogg, F Spyrakis, DJ Abraham, G Costantino, A Emerson, ...
Journal of medicinal chemistry 51 (20), 6237-6255, 2008
3622008
AMBER 14; University of California: San Francisco, 2014
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Google Scholar There is no corresponding record for this reference, 1-826, 2014
307*2014
Statistical potentials and scoring functions applied to protein–ligand binding
H Gohlke, G Klebe
Current opinion in structural biology 11 (2), 231-235, 2001
2712001
AMBER 2018, University of California, San Francisco, 2018
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
Google Scholar There is no corresponding record for this reference, 2015
2652015
Histone deacetylase (HDAC) inhibitors with a novel connecting unit linker region reveal a selectivity profile for HDAC4 and HDAC5 with improved activity against chemoresistant …
L Marek, A Hamacher, FK Hansen, K Kuna, H Gohlke, MU Kassack, ...
Journal of medicinal chemistry 56 (2), 427-436, 2013
2392013
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