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ORCIDWolfgang Wenzel
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2020 – today
- 2023
[j14]Luis Octavio de Araujo, Celso R. C. Rêgo, Wolfgang Wenzel, Danilo N. Silveira, Maurício J. Piotrowski
, Fernando P. Sabino, Yohanes Pramudya, Diego Guedes-Sobrinho:
How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites. J. Comput. Chem. 44(14): 1395-1403 (2023)- [j13]Artem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña, Wolfgang Wenzel, Pascal Friederich:
Interpretable delta-learning of GW quasiparticle energies from GGA-DFT. Mach. Learn. Sci. Technol. 4(3): 35045 (2023) - 2022
- [j12]Montserrat Penaloza-Amion, Celso R. C. Rêgo, Wolfgang Wenzel:
Local Electronic Charge Transfer in the Helical Induction of Cis-Transoid Poly(4-carboxyphenyl)acetylene by Chiral Amines. J. Chem. Inf. Model. 62(3): 544-552 (2022) - 2021
- [i1]Patrick Reiser, Manuel Konrad, Artem Fediai, Salvador León, Wolfgang Wenzel, Pascal Friederich:
Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning. CoRR abs/2102.01479 (2021)
2010 – 2019
- 2016
- [c9]Pascal Friederich, Timo Strunk, Wolfgang Wenzel, Ivan Kondov:
Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations. ICCS 2016: 1244-1254 - 2015
- [j11]Tobias Neumann, Denis Danilov, Wolfgang Wenzel:
Multiparticle moves in acceptance rate optimized monte carlo. J. Comput. Chem. 36(30): 2236-2245 (2015) - 2014
- [j10]Julia Setzler, Carolin Seith, Martin Brieg, Wolfgang Wenzel:
SLIM: An improved generalized Born implicit membrane model. J. Comput. Chem. 35(28): 2027-2039 (2014) - 2013
- [j9]Tobias Neumann, Denis Danilov, Christian Lennartz, Wolfgang Wenzel:
Modeling disordered morphologies in organic semiconductors. J. Comput. Chem. 34(31): 2716-2725 (2013) - 2012
- [j8]Johannes Flick, Frank Tristram, Wolfgang Wenzel:
Modeling loop backbone flexibility in receptor-ligand docking simulations. J. Comput. Chem. 33(31): 2504-2515 (2012) - [j7]Timo Strunk, Moritz Wolf, Martin Brieg, Konstantin V. Klenin, A. Biewer, Frank Tristram, Matthias Ernst, P. J. Kleine, N. Heilmann, Ivan Kondov, Wolfgang Wenzel:
SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems. J. Comput. Chem. 33(32): 2602-2613 (2012) - 2011
- [j6]Ivan Kondov, Abhinav Verma, Wolfgang Wenzel:
Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins. Comput. Biol. Chem. 35(4): 230-239 (2011) - [j5]Konstantin V. Klenin, Frank Tristram, Timo Strunk, Wolfgang Wenzel:
Derivatives of molecular surface area and volume: Simple and exact analytical formulas. J. Comput. Chem. 32(12): 2647-2653 (2011) - [c8]Horacio Emilio Pérez Sánchez, Ivan Kondov, José M. García, Konstantin V. Klenin, Wolfgang Wenzel:
A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening. IWSG-Life 2011 - [c7]Timo Strunk, Priya Anand, Martin Brieg, Moritz Wolf, Konstantin V. Klenin, Irene Meliciani, Frank Tristram, Ivan Kondov, Wolfgang Wenzel:
Benchmarking the POEM@HOME Network for Protein Structure Prediction. IWSG-Life 2011 - [c6]Ginés D. Guerrero, Horacio Emilio Pérez Sánchez, Wolfgang Wenzel, José M. Cecilia, José M. García:
Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs. PACBB 2011: 63-69 - 2010
- [j4]Horacio Emilio Pérez Sánchez, Bernhard Fischer, Daria B. Kokh, Holger Merlitz, Wolfgang Wenzel:
High throughput in-silico screening against flexible protein receptors. J. Cheminformatics 2(S-1): 23 (2010)
2000 – 2009
- 2009
- [c5]Horacio Emilio Pérez Sánchez, Wolfgang Wenzel:
Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor. GI Jahrestagung 2009: 721-729 - 2007
- [j3]Abhinav Verma, Srinivasa M. Gopal, Jung S. Oh, Kyu H. Lee, Wolfgang Wenzel:
All-atom de novo protein folding with a scalable evolutionary algorithm. J. Comput. Chem. 28(16): 2552-2558 (2007) - [c4]Abhinav Verma, Srinivasa M. Gopal, Alexander Schug, Jung S. Oh, Konstantin V. Klenin, Kyu H. Lee, Wolfgang Wenzel:
Massively Parallel All Atom Protein Folding in a Single Day. PARCO 2007: 527-534 - 2005
- [c3]Bernhard Fischer, Holger Merlitz, Wolfgang Wenzel:
Increasing Diversity in In-silico Screening with Target Flexibility. CompLife 2005: 186-197 - 2004
- [j2]Holger Merlitz, Thomas Herges, Wolfgang Wenzel:
Fluctuation analysis and accuracy of a large-scale in silico screen. J. Comput. Chem. 25(13): 1568-1575 (2004) - [c2]Thomas Herges, Alexander Schug, Wolfgang Wenzel:
Protein Structure Prediction with Stochastic Optimization Methods: Folding and Misfolding the Villin Headpiece. ICCSA (3) 2004: 454-464 - [c1]Holger Merlitz, Wolfgang Wenzel:
High Throughput in-silico Screening against Flexible Protein Receptors. ICCSA (3) 2004: 465-472
1990 – 1999
- 1999
- [j1]Philipp Stampfuss, Wolfgang Wenzel, Hellmut Keiter:
The parallel implementation of configuration-selecting multireference configuration interaction method. J. Comput. Chem. 20(14): 1559-1570 (1999)
Coauthor Index
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