Alexey Onufriev
Orcid: 0000-0002-4930-6612
According to our database1,
Alexey Onufriev
authored at least 14 papers
between 2002 and 2023.
Collaborative distances:
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Bibliography
2023
2020
Robustness of Multidimensional Optimization Outcomes: A General Approach and a Case Study.
Proceedings of the Spring Simulation Conference, 2020
2019
Ten simple rules on how to create open access and reproducible molecular simulations of biological systems.
PLoS Comput. Biol., 2019
2017
Grid-Based Surface Generalized Born Model for Calculation of Electrostatic Binding Free Energies.
J. Chem. Inf. Model., October, 2017
2016
Multiscale Approximation with Graphical Processing Units for Multiplicative Speedup in Molecular Dynamics.
Proceedings of the 7th ACM International Conference on Bioinformatics, 2016
2012
<i>H</i>++ 3.0: automating p<i>K</i> prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations.
Nucleic Acids Res., 2012
2010
An <i>N</i> log <i>N</i> approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions.
J. Comput. Chem., 2010
2008
Analysis of Basic Clustering Algorithms for Numerical Estimation of Statistical Averages in Biomolecules.
J. Comput. Biol., 2008
2007
Validation and Estimation of Parameters for a General Probabilistic Model of the PCR Process.
J. Comput. Biol., 2007
2006
2005
H++: a server for estimating p<i>K</i><sub>a</sub>s and adding missing hydrogens to macromolecules.
Nucleic Acids Res., 2005
2004
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
J. Comput. Chem., 2004
2002
Effective Born radii in the generalized Born approximation: The importance of being perfect.
J. Comput. Chem., 2002