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Journal of Chemical Theory and Computation
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November 22, 2015
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations
Vytautas Gapsys, Daniel Seeliger, Bert L de Groot
PNAS Nexus
|
July 17, 2024
Selectivity filter mutations shift ion permeation mechanism in potassium channels
Andrei Mironenko, Bert L de Groot, Wojciech Kopec
The Journal of Physical Chemistry Letters
|
March 24, 2021
One Plus One Makes Three: Triangular Coupling of Correlated Amino Acid Mutations
Martin Werner, Vytautas Gapsys, Bert L de Groot
Journal of Chemical Information and Modeling
|
October 30, 2025
Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations
Sudarshan Behera, Vytautas Gapsys, Bert L de Groot
ACS Central Science
|
January 17, 2019
Accurate Estimation of Ligand Binding Affinity Changes upon Protein Mutation
Matteo Aldeghi, Vytautas Gapsys, Bert L de Groot
ACS Central Science
|
September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven Approaches
Matteo Aldeghi, Vytautas Gapsys, Bert L de Groot
Journal of Molecular Biology
|
February 14, 2012
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulations
Dirk Matthes, Vytautas Gapsys, Bert L de Groot
Methods in Molecular Biology (Clifton, N.J.)
|
October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid Mutation
Matteo Aldeghi, Bert L de Groot, Vytautas Gapsys
Neuropediatrics
|
August 26, 1998
Muscle power and medical history in high risk preterm infants at 3 months of corrected age
J F Samsom, L de Groot, B Hopkins
Plos Computational Biology
|
May 10, 2013
Probing the energy landscape of activation gating of the bacterial potassium channel KcsA
Tobias Linder, Bert L de Groot, Anna Stary-Weinzinger
Page
of 33
Search research articles
Search
Showing results (61-70 of 321) with videos related to
Sort By:
Page
of 33
Journal of Chemical Theory and Computation
|
November 22, 2015
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations
Vytautas Gapsys, Daniel Seeliger, Bert L de Groot
PNAS Nexus
|
July 17, 2024
Selectivity filter mutations shift ion permeation mechanism in potassium channels
Andrei Mironenko, Bert L de Groot, Wojciech Kopec
The Journal of Physical Chemistry Letters
|
March 24, 2021
One Plus One Makes Three: Triangular Coupling of Correlated Amino Acid Mutations
Martin Werner, Vytautas Gapsys, Bert L de Groot
Journal of Chemical Information and Modeling
|
October 30, 2025
Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations
Sudarshan Behera, Vytautas Gapsys, Bert L de Groot
ACS Central Science
|
January 17, 2019
Accurate Estimation of Ligand Binding Affinity Changes upon Protein Mutation
Matteo Aldeghi, Vytautas Gapsys, Bert L de Groot
ACS Central Science
|
September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven Approaches
Matteo Aldeghi, Vytautas Gapsys, Bert L de Groot
Journal of Molecular Biology
|
February 14, 2012
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulations
Dirk Matthes, Vytautas Gapsys, Bert L de Groot
Methods in Molecular Biology (Clifton, N.J.)
|
October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid Mutation
Matteo Aldeghi, Bert L de Groot, Vytautas Gapsys
Neuropediatrics
|
August 26, 1998
Muscle power and medical history in high risk preterm infants at 3 months of corrected age
J F Samsom, L de Groot, B Hopkins
Plos Computational Biology
|
May 10, 2013
Probing the energy landscape of activation gating of the bacterial potassium channel KcsA
Tobias Linder, Bert L de Groot, Anna Stary-Weinzinger
Page
of 33