Samarjeet Prasad

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 7

Top Topics

Gaussian Mixture

Image Segmentation

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules. CoRR (2022)
Phillip S. Hudson, Félix Aviat, Rubén Meana-Pañeda, Luke C. Warrensford, Benjamin C. Pollard, Samarjeet Prasad, Michael R. Jones, H. Lee Woodcock III, Bernard R. Brooks
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. J. Comput. Aided Mol. Des. 36 (4) (2022)
Samarjeet Prasad, Andrew C. Simmonett, Rubén Meana-Pañeda, Bernard R. Brooks
The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetry. J. Comput. Chem. 42 (19) (2021)
Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks
Variational embedding of protein folding simulations using gaussian mixture variational autoencoders. CoRR (2021)
Samarjeet Prasad, Bernard R. Brooks
A deep learning approach for the blind logP prediction in SAMPL6 challenge. J. Comput. Aided Mol. Des. 34 (5) (2020)
Samarjeet Prasad, Jing Huang, Qiao Zeng, Bernard R. Brooks
An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge. J. Comput. Aided Mol. Des. 32 (10) (2018)
Gerhard König, Frank C. Pickard IV, Jing Huang, Andrew C. Simmonett, Florentina Tofoleanu, Juyong Lee, Pavlo O. Dral, Samarjeet Prasad, Michael R. Jones, Yihan Shao, Walter Thiel, Bernard R. Brooks
Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. J. Comput. Aided Mol. Des. 30 (11) (2016)