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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
11058*2014
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
81112005
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
7119*2008
AMBER 9 University of California
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
San Francisco, 2006
3956*2006
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
35752006
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
22322012
Knowledge-based scoring function to predict protein-ligand interactions
H Gohlke, M Hendlich, G Klebe
Journal of molecular biology 295 (2), 337-356, 2000
12932000
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
11372003
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
9562002
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
8512004
Free energy calculations by the molecular mechanics Poisson− Boltzmann surface area method
N Homeyer, H Gohlke
Molecular informatics 31 (2), 114-122, 2012
7252012
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
5642004
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
4772008
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
4162021
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
4002005
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
3892012
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
3222008
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
296*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
2562001
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
205*2007
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