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Xiaoliang Pan

Showing results (1-10 of 37) with videos related to

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The Journal of Physical Chemistry. B|June 28, 2016
Conformational Heterogeneity in the Michaelis Complex of Lactate Dehydrogenase: An Analysis of Vibrational Spectroscopy Using Markov and Hidden Markov ModelsXiaoliang Pan, Steven D Schwartz
The Journal of Physical Chemistry. B|April 2, 2015
Free energy surface of the Michaelis complex of lactate dehydrogenase: a network analysis of microsecond simulationsXiaoliang Pan, Steven D Schwartz
Molecules (Basel, Switzerland)|October 3, 2018
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM CalculationsXiaoliang Pan, Edina Rosta, Yihan Shao
Protein and Peptide Letters|April 15, 2020
Rational Design and Intramolecular Cyclization of Hotspot Peptide Segments at YAP-TEAD4 Complex InterfaceDingwa Zhang, Deyong He, Xiaoliang Pan, et al.
Journal of Chemical Theory and Computation|October 19, 2018
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics PerturbationPengfei Li, Xiangyu Jia, Xiaoliang Pan, et al.
Journal of Chemical Theory and Computation|January 15, 2025
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed ReactionsAbdul Raafik Arattu Thodika, Xiaoliang Pan, Yihan Shao, et al.
The Journal of Chemical Physics|August 2, 2023
Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulationRyan Snyder, Bryant Kim, Xiaoliang Pan, et al.
Physical Chemistry Chemical Physics : PCCP|October 12, 2022
Facilitating <i>ab initio</i> QM/MM free energy simulations by Gaussian process regression with derivative observationsRyan Snyder, Bryant Kim, Xiaoliang Pan, et al.
Journal of Bioinformatics and Computational Biology|July 19, 2016
Computational analysis and enzyme assay of inhibitor response to disease single nucleotide polymorphisms (SNPs) in lipoprotein lipaseDeyong He, Ling Huang, Yaping Xu, et al.
Analytica Chimica Acta|April 16, 2019
Integrating a generalized data analysis workflow with the Single-probe mass spectrometry experiment for single cell metabolomicsRenmeng Liu, Genwei Zhang, Mei Sun, et al.
Pageof 4

Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
The Journal of Physical Chemistry. B|June 28, 2016
Conformational Heterogeneity in the Michaelis Complex of Lactate Dehydrogenase: An Analysis of Vibrational Spectroscopy Using Markov and Hidden Markov ModelsXiaoliang Pan, Steven D Schwartz
The Journal of Physical Chemistry. B|April 2, 2015
Free energy surface of the Michaelis complex of lactate dehydrogenase: a network analysis of microsecond simulationsXiaoliang Pan, Steven D Schwartz
Molecules (Basel, Switzerland)|October 3, 2018
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM CalculationsXiaoliang Pan, Edina Rosta, Yihan Shao
Protein and Peptide Letters|April 15, 2020
Rational Design and Intramolecular Cyclization of Hotspot Peptide Segments at YAP-TEAD4 Complex InterfaceDingwa Zhang, Deyong He, Xiaoliang Pan, et al.
Journal of Chemical Theory and Computation|October 19, 2018
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics PerturbationPengfei Li, Xiangyu Jia, Xiaoliang Pan, et al.
Journal of Chemical Theory and Computation|January 15, 2025
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed ReactionsAbdul Raafik Arattu Thodika, Xiaoliang Pan, Yihan Shao, et al.
The Journal of Chemical Physics|August 2, 2023
Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulationRyan Snyder, Bryant Kim, Xiaoliang Pan, et al.
Physical Chemistry Chemical Physics : PCCP|October 12, 2022
Facilitating <i>ab initio</i> QM/MM free energy simulations by Gaussian process regression with derivative observationsRyan Snyder, Bryant Kim, Xiaoliang Pan, et al.
Journal of Bioinformatics and Computational Biology|July 19, 2016
Computational analysis and enzyme assay of inhibitor response to disease single nucleotide polymorphisms (SNPs) in lipoprotein lipaseDeyong He, Ling Huang, Yaping Xu, et al.
Analytica Chimica Acta|April 16, 2019
Integrating a generalized data analysis workflow with the Single-probe mass spectrometry experiment for single cell metabolomicsRenmeng Liu, Genwei Zhang, Mei Sun, et al.
Pageof 4