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Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space
Lee, Alpha A, Yang, Qingyi, Sresht, Vishnu, Bolgar, Peter, Hou, Xinjun, Klug-McLeod, Jacquelyn L, Butler, Christopher R
Published in Chemical communications (Cambridge, England) (08.10.2019)
Published in Chemical communications (Cambridge, England) (08.10.2019)
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Reconfigurable and responsive droplet-based compound micro-lenses
Nagelberg, Sara, Zarzar, Lauren D., Nicolas, Natalie, Subramanian, Kaushikaram, Kalow, Julia A., Sresht, Vishnu, Blankschtein, Daniel, Barbastathis, George, Kreysing, Moritz, Swager, Timothy M., Kolle, Mathias
Published in Nature communications (07.03.2017)
Published in Nature communications (07.03.2017)
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Quantitative Modeling of MoS2–Solvent Interfaces: Predicting Contact Angles and Exfoliation Performance using Molecular Dynamics
Sresht, Vishnu, Govind Rajan, Ananth, Bordes, Emilie, Strano, Michael S, Pádua, Agílio A.H, Blankschtein, Daniel
Published in Journal of physical chemistry. C (27.04.2017)
Published in Journal of physical chemistry. C (27.04.2017)
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Understanding the colloidal dispersion stability of 1D and 2D materials: Perspectives from molecular simulations and theoretical modeling
Lin, Shangchao, Shih, Chih-Jen, Sresht, Vishnu, Govind Rajan, Ananth, Strano, Michael S., Blankschtein, Daniel
Published in Advances in colloid and interface science (01.06.2017)
Published in Advances in colloid and interface science (01.06.2017)
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Coupling Mixed Mode Chromatography/ESI Negative MS Detection with Message-Passing Neural Network Modeling for Enhanced Metabolome Coverage and Structural Identification
Xing, Gang, Sresht, Vishnu, Sun, Zhongyuan, Shi, Yuji, Clasquin, Michelle F.
Published in Metabolites (11.11.2021)
Published in Metabolites (11.11.2021)
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Dynamically reconfigurable complex emulsions via tunable interfacial tensions
Zarzar, Lauren D., Sresht, Vishnu, Sletten, Ellen M., Kalow, Julia A., Blankschtein, Daniel, Swager, Timothy M.
Published in Nature (London) (26.02.2015)
Published in Nature (London) (26.02.2015)
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Are 2D fingerprints still valuable for drug discovery?
Gao, Kaifu, Nguyen, Duc Duy, Sresht, Vishnu, Mathiowetz, Alan M, Tu, Meihua, Wei, Guo-Wei
Published in Physical chemistry chemical physics : PCCP (29.04.2020)
Published in Physical chemistry chemical physics : PCCP (29.04.2020)
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Combined Molecular Dynamics Simulation–Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions
Sresht, Vishnu, Lewandowski, Eric P, Blankschtein, Daniel, Jusufi, Arben
Published in Langmuir (22.08.2017)
Published in Langmuir (22.08.2017)
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TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics
Rai, Brajesh K, Sresht, Vishnu, Yang, Qingyi, Unwalla, Ray, Tu, Meihua, Mathiowetz, Alan M, Bakken, Gregory A
Published in Journal of chemical information and modeling (28.02.2022)
Published in Journal of chemical information and modeling (28.02.2022)
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Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein–Ligand Complexes using ab Initio Calculations
Rai, Brajesh K, Sresht, Vishnu, Yang, Qingyi, Unwalla, Ray, Tu, Meihua, Mathiowetz, Alan M, Bakken, Gregory A
Published in Journal of chemical information and modeling (28.10.2019)
Published in Journal of chemical information and modeling (28.10.2019)
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Dominance of Dispersion Interactions and Entropy over Electrostatics in Determining the Wettability and Friction of Two-Dimensional MoS2 Surfaces
Govind Rajan, Ananth, Sresht, Vishnu, Pádua, Agilio A. H, Strano, Michael S, Blankschtein, Daniel
Published in ACS nano (25.10.2016)
Published in ACS nano (25.10.2016)
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Understanding Miltefosine–Membrane Interactions Using Molecular Dynamics Simulations
Malta de Sá, Matheus, Sresht, Vishnu, Rangel-Yagui, Carlota Oliveira, Blankschtein, Daniel
Published in Langmuir (21.04.2015)
Published in Langmuir (21.04.2015)
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Quantitative Modeling of MoS 2 –Solvent Interfaces: Predicting Contact Angles and Exfoliation Performance using Molecular Dynamics
Sresht, Vishnu, Govind Rajan, Ananth, Bordes, Emilie, Strano, Michael S., Pádua, Agílio A.H., Blankschtein, Daniel
Published in Journal of physical chemistry. C (27.04.2017)
Published in Journal of physical chemistry. C (27.04.2017)
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Dominance of Dispersion Interactions and Entropy over Electrostatics in Determining the Wettability and Friction of Two-Dimensional MoS 2 Surfaces
Govind Rajan, Ananth, Sresht, Vishnu, Pádua, Agilio A. H., Strano, Michael S., Blankschtein, Daniel
Published in ACS nano (25.10.2016)
Published in ACS nano (25.10.2016)
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Correction to “CO2‑Reactive Ionic Liquid Surfactants for the Control of Colloidal Morphology”
Brown, Paul, Sresht, Vishnu, Eral, Burak H, Fiore, Andrew, de la Fuente-Núñez, César, O’Mahony, Marcus, Mendes, Gabriel P, Heller, William T, Doyle, Patrick S, Blankschtein, Daniel, Hatton, T. Alan
Published in Langmuir (12.09.2017)
Published in Langmuir (12.09.2017)
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CO2‑Reactive Ionic Liquid Surfactants for the Control of Colloidal Morphology
Brown, Paul, Sresht, Vishnu, Eral, Burak H, Fiore, Andrew, de la Fuente-Núñez, César, O’Mahony, Marcus, Mendes, Gabriel P, Heller, William T, Doyle, Patrick S, Blankschtein, Daniel, Hatton, T. Alan
Published in Langmuir (08.08.2017)
Published in Langmuir (08.08.2017)
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Understanding Miltefosine-Membrane Interactions using Molecular Dynamics Simulations
Malta de Sa, Matheus, Sresht, Vishnu, Blankschtein, Daniel, Rangel Yagui, Carlota Oliveira
Published in Biophysical journal (28.01.2014)
Published in Biophysical journal (28.01.2014)
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