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Physical Chemistry Chemical Physics : PCCP|November 27, 2020
Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based methodSruthy K Chandy, Bishnu Thapa, Krishnan RaghavachariJournal of Chemical Theory and Computation|June 12, 2019
Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based ApproachAnkur Kumar Gupta, Bishnu Thapa, Krishnan RaghavachariJournal of Chemical Theory and Computation|October 19, 2019
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based MethodTumpa Sadhukhan, Daniel Beckett, Bishnu Thapa, et al.Physical Chemistry Chemical Physics : PCCP|June 6, 2022
Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trendsSarah Maier, Bishnu Thapa, Jon Erickson, et al.Journal of Chemical Theory and Computation|September 29, 2018
Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based MethodBishnu Thapa, Daniel Beckett, Jon Erickson, et al.The Journal of Physical Chemistry. A|January 28, 2016
Controlling Chemical Reactions by Short, Intense Mid-Infrared Laser Pulses: Comparison of Linear and Circularly Polarized Light in Simulations of ClCHO(+) FragmentationXuetao Shi, Bishnu Thapa, Wen Li, et al.Journal of Chemical Theory and Computation|March 26, 2024
Toward Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based MethodAnkur K Gupta, Sarah Maier, Bishnu Thapa, et al.Journal of X-Ray Science and Technology|January 7, 2020
Assessment of an Elekta Versa HD linear accelerator for stereotactic radiosurgery with circular cone collimatorsMutian Zhang, Qiyong Fan, Yu Lei, et al.Journal of Chemical Theory and Computation|February 17, 2018
Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules ApproachBishnu Thapa, Daniel Beckett, K V Jovan Jose, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 2, 2017
Computational Study of Oxidation of Guanine by Singlet Oxygen (1 Δg ) and Formation of Guanine:Lysine Cross-LinksBishnu Thapa, Barbara H Munk, Cynthia J Burrows, et al.Pageof 4