Wolfgang Wenzel

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 5

Top Topics

Acceptance Rate

Distinguishing Features

Top Venues

J. Comput. Chem.

Mach. Learn. Sci. Technol.

Publications

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) (2023)
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) (2023)
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) (2022)
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 (2021)
Pascal Friederich, Timo Strunk, Wolfgang Wenzel, Ivan Kondov
Multiscale Simulation of Organic Electronics Via Smart Scheduling of Quantum Mechanics Computations. ICCS (2016)
Tobias Neumann, Denis Danilov, Wolfgang Wenzel
Multiparticle moves in acceptance rate optimized monte carlo. J. Comput. Chem. 36 (30) (2015)
Julia Setzler, Carolin Seith, Martin Brieg, Wolfgang Wenzel
SLIM: An improved generalized Born implicit membrane model. J. Comput. Chem. 35 (28) (2014)
Tobias Neumann, Denis Danilov, Christian Lennartz, Wolfgang Wenzel
Modeling disordered morphologies in organic semiconductors. J. Comput. Chem. 34 (31) (2013)
Johannes Flick, Frank Tristram, Wolfgang Wenzel
Modeling loop backbone flexibility in receptor-ligand docking simulations. J. Comput. Chem. 33 (31) (2012)
Timo Strunk, Moritz Wolf, Martin Brieg, Konstantin V. Klenin, A. Biewer, Frank Tristram, M. 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) (2012)
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) (2011)
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)
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) (2011)
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)
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)
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) (2010)
Horacio Emilio Pérez Sánchez, Wolfgang Wenzel
Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor. GI Jahrestagung (2009)
Abhinav Verma, Srinivasa M. Gopal, Jung S. Oh, Kyu H. Lee, Wolfgang Wenzel
protein folding with a scalable evolutionary algorithm. J. Comput. Chem. 28 (16) (2007)
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)
Bernhard Fischer, Holger Merlitz, Wolfgang Wenzel
Increasing Diversity in In-silico Screening with Target Flexibility. CompLife (2005)
Holger Merlitz, Wolfgang Wenzel
High Throughput in-silico Screening against Flexible Protein Receptors. ICCSA (3) (2004)
Holger Merlitz, Thomas Herges, Wolfgang Wenzel
Fluctuation analysis and accuracy of a large-scale in silico screen. J. Comput. Chem. 25 (13) (2004)
Thomas Herges, Alexander Schug, Wolfgang Wenzel
Protein Structure Prediction with Stochastic Optimization Methods: Folding and Misfolding the Villin Headpiece. ICCSA (3) (2004)
Philipp Stampfuss, Wolfgang Wenzel, Hellmut Keiter
The parallel implementation of configuration-selecting multireference configuration interaction method. J. Comput. Chem. 20 (14) (1999)