
BibTeX records: Samarjeet Prasad
@article{DBLP:journals/jcamd/PrasadB20, author = {Samarjeet Prasad and Bernard R. Brooks}, title = {A deep learning approach for the blind logP prediction in {SAMPL6} challenge}, journal = {J. Comput. Aided Mol. Des.}, volume = {34}, number = {5}, pages = {535--542}, year = {2020}, url = {https://doi.org/10.1007/s10822-020-00292-3}, doi = {10.1007/s10822-020-00292-3}, timestamp = {Sat, 30 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/PrasadB20.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/PrasadHZB18, author = {Samarjeet Prasad and Jing Huang and Qiao Zeng and Bernard R. Brooks}, title = {An explicit-solvent hybrid {QM} and {MM} approach for predicting pKa of small molecules in {SAMPL6} challenge}, journal = {J. Comput. Aided Mol. Des.}, volume = {32}, number = {10}, pages = {1191--1201}, year = {2018}, url = {https://doi.org/10.1007/s10822-018-0167-1}, doi = {10.1007/s10822-018-0167-1}, timestamp = {Mon, 26 Oct 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcamd/PrasadHZB18.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/KonigPHSTLDPJST16, author = {Gerhard K{\"{o}}nig and Frank C. Pickard IV and Jing Huang and Andrew C. Simmonett and Florentina Tofoleanu and Juyong Lee and Pavlo O. Dral and Samarjeet Prasad and Michael R. Jones and Yihan Shao and Walter Thiel and Bernard R. Brooks}, title = {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}, journal = {J. Comput. Aided Mol. Des.}, volume = {30}, number = {11}, pages = {989--1006}, year = {2016}, url = {https://doi.org/10.1007/s10822-016-9936-x}, doi = {10.1007/s10822-016-9936-x}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/KonigPHSTLDPJST16.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }

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