Holger Gohlke
Holger Gohlke
Professor, Heinrich Heine University Düsseldorf; NIC Research Group, Forschungszentrum Jülich
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα uni-duesseldorf.de - Αρχική σελίδα
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Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
10039*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
70462005
Amber 14
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, 2014
6826*2014
AMBER 9 University of California
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
San Francisco, 2006
4344*2006
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
39242006
AMBER 2015
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2015
21862015
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
15882012
Knowledge-based scoring function to predict protein-ligand interactions
H Gohlke, M Hendlich, G Klebe
Journal of molecular biology 295 (2), 337-356, 2000
11872000
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
9982003
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
8852002
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
7612004
Free energy calculations by the molecular mechanics Poisson− Boltzmann surface area method
N Homeyer, H Gohlke
Molecular informatics 31 (2), 114-122, 2012
5602012
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
5422004
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, 1996
5011996
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
3632005
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
3282012
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
2992008
Statistical potentials and scoring functions applied to protein–ligand binding
H Gohlke, G Klebe
Current opinion in structural biology 11 (2), 231-235, 2001
2402001
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
224*2007
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, 0
214
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