Translocation pause of remdesivir-containing primer/template RNA duplex within SARS-CoV-2’s RNA polymerase complexes

por Shi, Yuanjun, Wang, Jimin, Batista, Victor S.
Publicado 2022

Triple-action inhibitory mechanism of allosteric TYK2-specific inhibitors

por Wang, Jimin, Batista, Victor S., Bunick, Christopher G.
Publicado 2023

Hammett neural networks: prediction of frontier orbital energies of tungsten–benzylidyne photoredox complexes

por Chang, Alexander M., Freeze, Jessica G., Batista, Victor S.
Publicado 2019

Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S(1) to S(2) Transition: A Combined XRD and QM/MM Study

por Askerka, Mikhail, Wang, Jimin, Brudvig, Gary W., Batista, Victor S.
Publicado 2014

Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models

por Wang, Jimin, Askerka, Mikhail, Brudvig, Gary W., Batista, Victor S.
Publicado 2017

Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II

por Wang, Jimin, Askerka, Mikhail, Brudvig, Gary W., Batista, Victor S.
Publicado 2017

Pharmacophore Mapping Combined with dbCICA Reveal New Structural Features for the Development of Novel Ligands Targeting α4β2 and α7 Nicotinic Acetylcholine Receptors

por Batista, Victor S., Gonçalves, Adriano Marques, Nascimento-Júnior, Nailton M.
Publicado 2022

Connected Component Analysis of Dynamical Perturbation Contact Networks

por Gheeraert, Aria, Lesieur, Claire, Batista, Victor S., Vuillon, Laurent, Rivalta, Ivan
Publicado 2023

ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation

por Kyro, Gregory W., Morgunov, Anton, Brent, Rafael I., Batista, Victor S.
Publicado 2023

New Insights from Sum Frequency Generation Vibrational Spectroscopy into the Interactions of Islet Amyloid Polypeptides with Lipid Membranes

por Fu, Li, Wang, Zhuguang, Batista, Victor S., Yan, Elsa C. Y.
Publicado 2016

Ultrafast Charge Relocation Dynamics in Enol–Keto Tautomerization Monitored with a Local Soft-X-ray Probe

por Soley, Micheline B., Videla, Pablo E., Nibbering, Erik T. J., Batista, Victor S.
Publicado 2022

Allosteric Pathways in the PPARγ-RXRα nuclear receptor complex

por Ricci, Clarisse G., Silveira, Rodrigo L., Rivalta, Ivan, Batista, Victor S., Skaf, Munir S.
Publicado 2016

Copper-mediated thiol potentiation and mutagenesis-guided modeling suggest a highly conserved copper-binding motif in human OR2M3

por Haag, Franziska, Ahmed, Lucky, Reiss, Krystle, Block, Eric, Batista, Victor S., Krautwurst, Dietmar
Publicado 2019

Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy

por Morzan, Uriel N., Videla, Pablo E., Soley, Micheline B., Nibbering, Erik T. J., Batista, Victor S.
Publicado 2020

Vibrational Stark shift spectroscopy of catalysts under the influence of electric fields at electrode–solution interfaces

por Bhattacharyya, Dhritiman, Videla, Pablo E., Cattaneo, Mauricio, Batista, Victor S., Lian, Tianquan, Kubiak, Clifford P.
Publicado 2021

Reply To: Confined molecular catalysts provide an alternative interpretation to the electrochemically reversible demetallation of copper complexes

por Weng, Zhe, Wu, Yueshen, Wang, Maoyu, Brudvig, Gary W., Batista, Victor S., Liang, Yongye, Feng, Zhenxing, Wang, Hailiang
Publicado 2022

Valproate-coenzyme A conjugate blocks opening of receptor binding domains in the spike trimer of SARS-CoV-2 through an allosteric mechanism

por Maschietto, Federica, Qiu, Tianyin, Wang, Jimin, Shi, Yuanjun, Allen, Brandon, Lisi, George P., Lolis, Elias, Batista, Victor S.
Publicado 2023

A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties

por Shopov, Dimitar Y., Rudshteyn, Benjamin, Campos, Jesús, Vinyard, David J., Batista, Victor S., Brudvig, Gary W., Crabtree, Robert H.
Publicado 2017

Computational insights into the membrane fusion mechanism of SARS-CoV-2 at the cellular level

por Wang, Jimin, Maschietto, Federica, Guberman-Pfeffer, Matthew J., Reiss, Krystle, Allen, Brandon, Xiong, Yong, Lolis, Elias, Batista, Victor S.
Publicado 2021

Enhanced specificity mutations perturb allosteric signaling in CRISPR-Cas9

por Nierzwicki, Lukasz, East, Kyle W, Morzan, Uriel N, Arantes, Pablo R, Batista, Victor S, Lisi, George P, Palermo, Giulia
Publicado 2021